CID 295979

3-ureidobenzoic acid

Structural Information

Molecular Formula

C₈H₈N₂O₃

SMILES

C1=CC(=CC(=C1)NC(=O)N)C(=O)O

InChI

InChI=1S/C8H8N2O3/c9-8(13)10-6-3-1-2-5(4-6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13)

InChIKey

RWDCBLOFRYIIOL-UHFFFAOYSA-N

Compound name

3-(carbamoylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 49
Patents: 180.0535 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.06078	136.8
[M+Na]+	203.04272	145.8
[M+NH4]+	198.08732	143.1
[M+K]+	219.01666	142.6
[M-H]-	179.04622	137.5
[M+Na-2H]-	201.02817	141.4
[M]+	180.05295	137.7
[M]-	180.05405	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe