| SpectraBase Spectrum ID |
1wLegcf1cLP |
| Name |
Clobutinol |
| CAS Registry Number |
14860-49-2 |
| Collision Energy |
50 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
255.138992031 u |
| Formula |
C14H22ClNO |
| InChI |
InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3 |
| InChIKey |
KVHHQGIIZCJATJ-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
255.789 g/mol |
| Nominal Mass |
255 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
256.146 |
| SMILES |
OC(C(CN(C)C)C)(CC1=CC=C(Cl)C=C1)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_224.9 |
