CID 1808883
108087-84-9
Structural Information
- Molecular Formula
- C12H13NO4
- SMILES
- CCOC1=CC=C(C=C1)NC(=O)/C=C\C(=O)O
- InChI
- InChI=1S/C12H13NO4/c1-2-17-10-5-3-9(4-6-10)13-11(14)7-8-12(15)16/h3-8H,2H2,1H3,(H,13,14)(H,15,16)/b8-7-
- InChIKey
- LMTIUWRMRAZPEN-FPLPWBNLSA-N
- Compound name
- (Z)-4-(4-ethoxyanilino)-4-oxobut-2-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 236.09174 | 151.3 |
[M+Na]+ | 258.07368 | 157.3 |
[M-H]- | 234.07718 | 153.4 |
[M+NH4]+ | 253.11828 | 167.9 |
[M+K]+ | 274.04762 | 155.1 |
[M+H-H2O]+ | 218.08172 | 144.8 |
[M+HCOO]- | 280.08266 | 173.9 |
[M+CH3COO]- | 294.09831 | 189.9 |
[M+Na-2H]- | 256.05913 | 154.6 |
[M]+ | 235.08391 | 152.2 |
[M]- | 235.08501 | 152.2 |