CID 57417380
4,5-dihydroxyhexanoic acid
Structural Information
- Molecular Formula
- C6H12O4
- SMILES
- CC(C(CCC(=O)O)O)O
- InChI
- InChI=1S/C6H12O4/c1-4(7)5(8)2-3-6(9)10/h4-5,7-8H,2-3H2,1H3,(H,9,10)
- InChIKey
- FKHCKVQMPWUKCV-UHFFFAOYSA-N
- Compound name
- 4,5-dihydroxyhexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 149.08084 | 131.5 |
[M+Na]+ | 171.06278 | 138.5 |
[M+NH4]+ | 166.10738 | 136.8 |
[M+K]+ | 187.03672 | 136.9 |
[M-H]- | 147.06628 | 127.5 |
[M+Na-2H]- | 169.04823 | 131.6 |
[M]+ | 148.07301 | 130.7 |
[M]- | 148.07411 | 130.7 |