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

7
Patents

221.0688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 146.7
[M+Na]+ 244.05802 153.1
[M-H]- 220.06152 149.0
[M+NH4]+ 239.10262 163.8
[M+K]+ 260.03196 151.1
[M+H-H2O]+ 204.06606 140.3
[M+HCOO]- 266.06700 169.6
[M+CH3COO]- 280.08265 186.9
[M+Na-2H]- 242.04347 150.5
[M]+ 221.06825 147.3
[M]- 221.06935 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.