CID 131839801
Amphimic acid b
Structural Information
- Molecular Formula
- C28H48O2
- SMILES
- CCCCCC/C=C\CCCCCCCC[C@H]\1C/C1=C\CC/C=C\CCCC(=O)O
- InChI
- InChI=1S/C28H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-26-25-27(26)23-20-17-14-15-18-21-24-28(29)30/h7-8,14-15,23,26H,2-6,9-13,16-22,24-25H2,1H3,(H,29,30)/b8-7-,15-14-,27-23+/t26-/m0/s1
- InChIKey
- PPYYHEIKKRPVLF-DJRYAZFMSA-N
- Compound name
- (Z,9E)-9-[(2S)-2-[(Z)-hexadec-9-enyl]cyclopropylidene]non-5-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 417.37270 | 209.2 |
[M+Na]+ | 439.35464 | 211.1 |
[M-H]- | 415.35814 | 209.2 |
[M+NH4]+ | 434.39924 | 215.0 |
[M+K]+ | 455.32858 | 202.2 |
[M+H-H2O]+ | 399.36268 | 200.9 |
[M+HCOO]- | 461.36362 | 225.3 |
[M+CH3COO]- | 475.37927 | 230.4 |
[M+Na-2H]- | 437.34009 | 203.9 |
[M]+ | 416.36487 | 217.6 |
[M]- | 416.36597 | 217.6 |
Literature stripe
Patent stripe
No patent data available for this compound.