CID 587463
Cyclooctanecarboxylic acid
Structural Information
- Molecular Formula
- C9H16O2
- SMILES
- C1CCCC(CCC1)C(=O)O
- InChI
- InChI=1S/C9H16O2/c10-9(11)8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,10,11)
- InChIKey
- URAXDCBRCGSGAT-UHFFFAOYSA-N
- Compound name
- cyclooctanecarboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.12232 | 143.4 |
[M+Na]+ | 179.10426 | 147.1 |
[M-H]- | 155.10776 | 144.4 |
[M+NH4]+ | 174.14886 | 152.5 |
[M+K]+ | 195.07820 | 147.7 |
[M+H-H2O]+ | 139.11230 | 140.3 |
[M+HCOO]- | 201.11324 | 151.7 |
[M+CH3COO]- | 215.12889 | 218.0 |
[M+Na-2H]- | 177.08971 | 143.5 |
[M]+ | 156.11449 | 140.9 |
[M]- | 156.11559 | 140.9 |