CID 101132790
83994-34-7
Structural Information
- Molecular Formula
- C10H14O3
- SMILES
- CC1=CCC(CC1=O)C(C)C(=O)O
- InChI
- InChI=1S/C10H14O3/c1-6-3-4-8(5-9(6)11)7(2)10(12)13/h3,7-8H,4-5H2,1-2H3,(H,12,13)
- InChIKey
- WBPNIFAWLPCWGX-UHFFFAOYSA-N
- Compound name
- 2-(4-methyl-5-oxocyclohex-3-en-1-yl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.10158 | 139.5 |
[M+Na]+ | 205.08352 | 149.6 |
[M+NH4]+ | 200.12812 | 146.6 |
[M+K]+ | 221.05746 | 145.4 |
[M-H]- | 181.08702 | 139.6 |
[M+Na-2H]- | 203.06897 | 142.8 |
[M]+ | 182.09375 | 140.6 |
[M]- | 182.09485 | 140.6 |
Literature stripe
Patent stripe
No patent data available for this compound.