CID 21939291
Schembl1543362
Structural Information
- Molecular Formula
- C7H12O4
- SMILES
- C1C(CC(CC1O)O)C(=O)O
- InChI
- InChI=1S/C7H12O4/c8-5-1-4(7(10)11)2-6(9)3-5/h4-6,8-9H,1-3H2,(H,10,11)
- InChIKey
- JOIXGDNGAXHWPO-UHFFFAOYSA-N
- Compound name
- 3,5-dihydroxycyclohexane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 161.08084 | 132.4 |
[M+Na]+ | 183.06278 | 140.8 |
[M+NH4]+ | 178.10738 | 138.9 |
[M+K]+ | 199.03672 | 138.0 |
[M-H]- | 159.06628 | 131.2 |
[M+Na-2H]- | 181.04823 | 134.3 |
[M]+ | 160.07301 | 132.7 |
[M]- | 160.07411 | 132.7 |
Literature stripe
No literature data available for this compound.