CID 10753985
Virol b
Structural Information
- Molecular Formula
- C17H26O2
- SMILES
- CCCCCCC/C=C\[C@@H](C#CC#CCCCO)O
- InChI
- InChI=1S/C17H26O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h11,14,17-19H,2-6,8,10,13,16H2,1H3/b14-11-/t17-/m0/s1
- InChIKey
- OZXJUTMPBYVTKB-IFCKCIONSA-N
- Compound name
- (Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 263.20055 | 168.0 |
[M+Na]+ | 285.18249 | 175.1 |
[M-H]- | 261.18599 | 166.5 |
[M+NH4]+ | 280.22709 | 178.5 |
[M+K]+ | 301.15643 | 170.1 |
[M+H-H2O]+ | 245.19053 | 154.4 |
[M+HCOO]- | 307.19147 | 174.2 |
[M+CH3COO]- | 321.20712 | 215.7 |
[M+Na-2H]- | 283.16794 | 166.2 |
[M]+ | 262.19272 | 160.9 |
[M]- | 262.19382 | 160.9 |