CID 4525385

2-(carbamoylamino)-2-phenylacetic acid

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1=CC=C(C=C1)C(C(=O)O)NC(=O)N
InChI
InChI=1S/C9H10N2O3/c10-9(14)11-7(8(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,12,13)(H3,10,11,14)
InChIKey
GIOUOHDKHHZWIQ-UHFFFAOYSA-N
Compound name
2-(carbamoylamino)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

127
Patents

194.06914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 141.0
[M+Na]+ 217.05836 145.9
[M-H]- 193.06186 142.7
[M+NH4]+ 212.10296 158.2
[M+K]+ 233.03230 144.6
[M+H-H2O]+ 177.06640 134.5
[M+HCOO]- 239.06734 163.5
[M+CH3COO]- 253.08299 184.6
[M+Na-2H]- 215.04381 144.4
[M]+ 194.06859 137.3
[M]- 194.06969 137.3
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