CID 2822841

65081-75-6

Structural Information

Molecular Formula

C₉H₁₀N₂O₃

SMILES

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

InChI

InChI=1S/C9H10N2O3/c1-14-8(12)6-3-2-4-7(5-6)11-9(10)13/h2-5H,1H3,(H3,10,11,13)

InChIKey

CANIDQGAPAHUJM-UHFFFAOYSA-N

Compound name

methyl 3-(carbamoylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 26
Patents: 194.06914 Da
Monoisotopic Mass: 0.9
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]+	195.07642	141.0
[M+Na]+	217.05836	150.5
[M+NH4]+	212.10296	147.5
[M+K]+	233.03230	146.6
[M-H]-	193.06186	142.3
[M+Na-2H]-	215.04381	146.0
[M]+	194.06859	142.3
[M]-	194.06969	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe