CID 101989
Androstenol
Structural Information
- Molecular Formula
- C19H30O
- SMILES
- C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C
- InChI
- InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1
- InChIKey
- KRVXMNNRSSQZJP-PHFHYRSDSA-N
- Compound name
- (3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 275.23696 | 170.6 |
[M+Na]+ | 297.21890 | 175.1 |
[M-H]- | 273.22240 | 173.5 |
[M+NH4]+ | 292.26350 | 194.7 |
[M+K]+ | 313.19284 | 169.0 |
[M+H-H2O]+ | 257.22694 | 164.1 |
[M+HCOO]- | 319.22788 | 180.0 |
[M+CH3COO]- | 333.24353 | 179.7 |
[M+Na-2H]- | 295.20435 | 171.5 |
[M]+ | 274.22913 | 161.8 |
[M]- | 274.23023 | 161.8 |