| SpectraBase Spectrum ID |
2J38qkflOFw |
| Name |
Buturon |
| CAS Registry Number |
3766-60-7 |
| Collision Energy |
15 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
236.071640746 u |
| Formula |
C12H13ClN2O |
| InChI |
InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16) |
| InChIKey |
BYYMILHAKOURNM-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
236.702 g/mol |
| Nominal Mass |
236 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
237.079 |
| SMILES |
N(C(=O)N(C(C)C#C)C)C1=CC=C(Cl)C=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_148.2 |
