CID 345844

4-(4-methoxyanilino)-4-oxobutanoic acid

Structural Information

Molecular Formula
C11H13NO4
SMILES
COC1=CC=C(C=C1)NC(=O)CCC(=O)O
InChI
InChI=1S/C11H13NO4/c1-16-9-4-2-8(3-5-9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)
InChIKey
SXTDOBIIAISFSI-UHFFFAOYSA-N
Compound name
4-(4-methoxyanilino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

19
Patents

223.08446 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 148.8
[M+Na]+ 246.07368 158.4
[M+NH4]+ 241.11828 154.7
[M+K]+ 262.04762 154.3
[M-H]- 222.07718 148.9
[M+Na-2H]- 244.05913 153.1
[M]+ 223.08391 149.8
[M]- 223.08501 149.8
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

patents stripe