CID 230718

3016-39-5

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1=CC=C(C=C1)NC(=O)NCC(=O)O
InChI
InChI=1S/C9H10N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13)(H2,10,11,14)
InChIKey
FLQZMUXFJLKXGY-UHFFFAOYSA-N
Compound name
2-(phenylcarbamoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

85
Patents

194.06914 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 140.2
[M+Na]+ 217.058358 145.4
[M-H]- 193.061864 142.4
[M+NH4]+ 212.102963 157.8
[M+K]+ 233.032298 143.9
[M+H-H2O]+ 177.066400 133.6
[M+HCOO]- 239.067341 164.4
[M+CH3COO]- 253.082991 183.5
[M+Na-2H]- 215.043806 145.9
[M]+ 194.06859142 138.1
[M]- 194.06968858 138.1
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