CID 5282671
2,4-dimethyl-2e-dodecenoic acid
Structural Information
- Molecular Formula
- C14H26O2
- SMILES
- CCCCCCCCC(C)/C=C(\C)/C(=O)O
- InChI
- InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-12(2)11-13(3)14(15)16/h11-12H,4-10H2,1-3H3,(H,15,16)/b13-11+
- InChIKey
- OHVNJWXMFIBONR-ACCUITESSA-N
- Compound name
- (E)-2,4-dimethyldodec-2-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.20056 | 160.5 |
[M+Na]+ | 249.18250 | 164.1 |
[M-H]- | 225.18600 | 158.3 |
[M+NH4]+ | 244.22710 | 178.1 |
[M+K]+ | 265.15644 | 161.9 |
[M+H-H2O]+ | 209.19054 | 155.1 |
[M+HCOO]- | 271.19148 | 178.1 |
[M+CH3COO]- | 285.20713 | 192.6 |
[M+Na-2H]- | 247.16795 | 159.1 |
[M]+ | 226.19273 | 162.4 |
[M]- | 226.19383 | 162.4 |
Literature stripe
No literature data available for this compound.