CID 796
Iminoaspartic acid
Structural Information
- Molecular Formula
- C4H5NO4
- SMILES
- C(C(=N)C(=O)O)C(=O)O
- InChI
- InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h5H,1H2,(H,6,7)(H,8,9)
- InChIKey
- NMUOATVLLQEYHI-UHFFFAOYSA-N
- Compound name
- 2-iminobutanedioic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 132.02913 | 124.9 |
[M+Na]+ | 154.01107 | 131.6 |
[M+NH4]+ | 149.05567 | 129.7 |
[M+K]+ | 169.98501 | 130.4 |
[M-H]- | 130.01457 | 121.1 |
[M+Na-2H]- | 151.99652 | 125.5 |
[M]+ | 131.02130 | 124.0 |
[M]- | 131.02240 | 124.0 |