CID 4366776

2-[(4-carbamoylphenyl)amino]acetic acid

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1=CC(=CC=C1C(=O)N)NCC(=O)O
InChI
InChI=1S/C9H10N2O3/c10-9(14)6-1-3-7(4-2-6)11-5-8(12)13/h1-4,11H,5H2,(H2,10,14)(H,12,13)
InChIKey
VYFGVOMFCZSJPI-UHFFFAOYSA-N
Compound name
2-(4-carbamoylanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

194.06914 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 140.0
[M+Na]+ 217.058358 146.0
[M-H]- 193.061864 142.0
[M+NH4]+ 212.102963 157.6
[M+K]+ 233.032298 144.2
[M+H-H2O]+ 177.066400 133.6
[M+HCOO]- 239.067341 163.5
[M+CH3COO]- 253.082991 185.5
[M+Na-2H]- 215.043806 144.0
[M]+ 194.06859142 137.5
[M]- 194.06968858 137.5
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

patents stripe