CID 55298801
Bicyclo[3.1.1]heptane-3-carboxylic acid
Structural Information
- Molecular Formula
- C8H12O2
- SMILES
- C1C2CC1CC(C2)C(=O)O
- InChI
- InChI=1S/C8H12O2/c9-8(10)7-3-5-1-6(2-5)4-7/h5-7H,1-4H2,(H,9,10)
- InChIKey
- MFCVWXVRJLRDDT-UHFFFAOYSA-N
- Compound name
- bicyclo[3.1.1]heptane-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 141.09100 | 135.1 |
[M+Na]+ | 163.07294 | 139.2 |
[M-H]- | 139.07644 | 132.9 |
[M+NH4]+ | 158.11754 | 153.6 |
[M+K]+ | 179.04688 | 141.0 |
[M+H-H2O]+ | 123.08098 | 127.0 |
[M+HCOO]- | 185.08192 | 147.2 |
[M+CH3COO]- | 199.09757 | 179.8 |
[M+Na-2H]- | 161.05839 | 143.9 |
[M]+ | 140.08317 | 144.1 |
[M]- | 140.08427 | 144.1 |
Literature stripe
No literature data available for this compound.