CID 286506

4-(2-methoxycarbonylanilino)-4-oxobut-2-enoic acid

Structural Information

Molecular Formula
C12H11NO5
SMILES
COC(=O)C1=CC=CC=C1NC(=O)C=CC(=O)O
InChI
InChI=1S/C12H11NO5/c1-18-12(17)8-4-2-3-5-9(8)13-10(14)6-7-11(15)16/h2-7H,1H3,(H,13,14)(H,15,16)
InChIKey
DAPLTIRLFKBRQA-UHFFFAOYSA-N
Compound name
4-(2-methoxycarbonylanilino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

249.06372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.070996 152.8
[M+Na]+ 272.052938 158.8
[M-H]- 248.056444 155.1
[M+NH4]+ 267.097543 168.6
[M+K]+ 288.026878 157.2
[M+H-H2O]+ 232.060980 146.3
[M+HCOO]- 294.061921 174.8
[M+CH3COO]- 308.077571 191.6
[M+Na-2H]- 270.038386 155.0
[M]+ 249.06317142 153.8
[M]- 249.06426858 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.