CID 5280617
2-carboxy-cis,cis-muconic acid
Structural Information
- Molecular Formula
- C7H6O6
- SMILES
- C(=C\C(=O)O)\C=C(C(=O)O)C(=O)O
- InChI
- InChI=1S/C7H6O6/c8-5(9)3-1-2-4(6(10)11)7(12)13/h1-3H,(H,8,9)(H,10,11)(H,12,13)/b3-1-
- InChIKey
- SLUDRBHRUDRZJZ-IWQZZHSRSA-N
- Compound name
- (3Z)-buta-1,3-diene-1,1,4-tricarboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 187.02371 | 135.3 |
[M+Na]+ | 209.00565 | 141.3 |
[M-H]- | 185.00915 | 131.5 |
[M+NH4]+ | 204.05025 | 152.3 |
[M+K]+ | 224.97959 | 140.0 |
[M+H-H2O]+ | 169.01369 | 130.9 |
[M+HCOO]- | 231.01463 | 152.7 |
[M+CH3COO]- | 245.03028 | 172.7 |
[M+Na-2H]- | 206.99110 | 135.5 |
[M]+ | 186.01588 | 133.7 |
[M]- | 186.01698 | 133.7 |
Literature stripe
No literature data available for this compound.