CID 6581
Acrylic acid
Structural Information
- Molecular Formula
- C3H4O2
- SMILES
- C=CC(=O)O
- InChI
- InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
- InChIKey
- NIXOWILDQLNWCW-UHFFFAOYSA-N
- Compound name
- prop-2-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 73.028402 | 108.7 |
[M+Na]+ | 95.010344 | 117.2 |
[M-H]- | 71.013850 | 108.3 |
[M+NH4]+ | 90.054949 | 132.4 |
[M+K]+ | 110.98428 | 117.1 |
[M+H-H2O]+ | 55.018386 | 105.3 |
[M+HCOO]- | 117.01933 | 131.9 |
[M+CH3COO]- | 131.03498 | 158.3 |
[M+Na-2H]- | 92.995792 | 115.8 |
[M]+ | 72.020577 | 107.8 |
[M]- | 72.021675 | 107.8 |