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: 27
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	140.1
[M+Na]+	217.05836	146.7
[M-H]-	193.06186	143.6
[M+NH4]+	212.10296	158.6
[M+K]+	233.03230	145.8
[M+H-H2O]+	177.06640	133.6
[M+HCOO]-	239.06734	165.2
[M+CH3COO]-	253.08299	186.6
[M+Na-2H]-	215.04381	144.6
[M]+	194.06859	139.3
[M]-	194.06969	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe