CID 56936228
6z-heneicosen-9-one
Structural Information
- Molecular Formula
- C21H40O
- SMILES
- CCCCCCCCCCCCC(=O)C/C=C\CCCCC
- InChI
- InChI=1S/C21H40O/c1-3-5-7-9-11-12-13-14-16-18-20-21(22)19-17-15-10-8-6-4-2/h15,17H,3-14,16,18-20H2,1-2H3/b17-15-
- InChIKey
- GWCLAVYIUMAKQA-ICFOKQHNSA-N
- Compound name
- (Z)-henicos-6-en-9-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 309.31520 | 187.8 |
[M+Na]+ | 331.29714 | 189.2 |
[M-H]- | 307.30064 | 185.4 |
[M+NH4]+ | 326.34174 | 202.8 |
[M+K]+ | 347.27108 | 184.8 |
[M+H-H2O]+ | 291.30518 | 180.8 |
[M+HCOO]- | 353.30612 | 206.3 |
[M+CH3COO]- | 367.32177 | 212.8 |
[M+Na-2H]- | 329.28259 | 185.6 |
[M]+ | 308.30737 | 194.1 |
[M]- | 308.30847 | 194.1 |