CID 156203
Peperinic acid
Structural Information
- Molecular Formula
- C10H14O3
- SMILES
- CC1CCC2=C(C(=O)OC2(C1)O)C
- InChI
- InChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3
- InChIKey
- LBNWZGLSMCTAQB-UHFFFAOYSA-N
- Compound name
- 7a-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.10158 | 137.4 |
[M+Na]+ | 205.08352 | 148.1 |
[M+NH4]+ | 200.12812 | 147.4 |
[M+K]+ | 221.05746 | 143.2 |
[M-H]- | 181.08702 | 139.6 |
[M+Na-2H]- | 203.06897 | 141.2 |
[M]+ | 182.09375 | 139.5 |
[M]- | 182.09485 | 139.5 |