CID 6326324
(2s)-2-(acetyloxy)propanoic acid
Structural Information
- Molecular Formula
- C5H8O4
- SMILES
- C[C@@H](C(=O)O)OC(=O)C
- InChI
- InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/t3-/m0/s1
- InChIKey
- WTLNOANVTIKPEE-VKHMYHEASA-N
- Compound name
- (2S)-2-acetyloxypropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 133.04953 | 123.9 |
[M+Na]+ | 155.03147 | 131.1 |
[M-H]- | 131.03497 | 123.3 |
[M+NH4]+ | 150.07607 | 145.1 |
[M+K]+ | 171.00541 | 132.3 |
[M+H-H2O]+ | 115.03951 | 119.8 |
[M+HCOO]- | 177.04045 | 145.0 |
[M+CH3COO]- | 191.05610 | 169.6 |
[M+Na-2H]- | 153.01692 | 127.4 |
[M]+ | 132.04170 | 125.4 |
[M]- | 132.04280 | 125.4 |