CID 83817122
6-oxo-octahydro-1h-indene-3a-carboxylic acid
Structural Information
- Molecular Formula
- C10H14O3
- SMILES
- C1CC2CC(=O)CCC2(C1)C(=O)O
- InChI
- InChI=1S/C10H14O3/c11-8-3-5-10(9(12)13)4-1-2-7(10)6-8/h7H,1-6H2,(H,12,13)
- InChIKey
- PSINJGYRAIKJBP-UHFFFAOYSA-N
- Compound name
- 6-oxo-2,3,4,5,7,7a-hexahydro-1H-indene-3a-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.10158 | 140.9 |
[M+Na]+ | 205.08352 | 149.1 |
[M+NH4]+ | 200.12812 | 150.4 |
[M+K]+ | 221.05746 | 144.3 |
[M-H]- | 181.08702 | 141.0 |
[M+Na-2H]- | 203.06897 | 144.0 |
[M]+ | 182.09375 | 141.8 |
[M]- | 182.09485 | 141.8 |
Literature stripe
No literature data available for this compound.