CID 247653

36847-94-6

Structural Information

Molecular Formula
C11H11NO4
SMILES
COC1=CC=CC=C1NC(=O)C=CC(=O)O
InChI
InChI=1S/C11H11NO4/c1-16-9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKey
HGLMERMZXFKZOL-UHFFFAOYSA-N
Compound name
4-(2-methoxyanilino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

221.0688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.076076 146.7
[M+Na]+ 244.058018 153.1
[M-H]- 220.061524 149.0
[M+NH4]+ 239.102623 163.8
[M+K]+ 260.031958 151.1
[M+H-H2O]+ 204.066060 140.3
[M+HCOO]- 266.067001 169.6
[M+CH3COO]- 280.082651 186.9
[M+Na-2H]- 242.043466 150.5
[M]+ 221.06825142 147.3
[M]- 221.06934858 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.