| SpectraBase Spectrum ID |
GXx3DuhZhOx |
| Name |
Hexamethylenimine (6CI) |
| Source of Sample |
Metabolite of Molinate |
| CAS Registry Number |
111-49-9 |
| Classification |
Pesticides: Artifacts, Degradation product, Metabolites |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
99.104799423 u |
| Formula |
C6H13N |
| InChI |
InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2 |
| InChIKey |
ZSIQJIWKELUFRJ-UHFFFAOYSA-N |
| Molecular Weight |
99.177 g/mol |
| Number of Peaks |
53 |
| RI1 |
895 |
| RI2 |
894 |
| SMILES |
N1CCCCCC1 |
| SPLASH |
splash10-0597-9000000000-c383d24fb45b401f7244 |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1H-Azepine, hexahydro- |
| Wiley ID |
LM_PEST_1053 |
