CID 12731941

Ethyl (4-aminophenyl)carbamate

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

CCOC(=O)NC1=CC=C(C=C1)N

InChI

InChI=1S/C9H12N2O2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H,11,12)

InChIKey

SABZQUOBNXDLDV-UHFFFAOYSA-N

Compound name

ethyl N-(4-aminophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 180.08987 Da
Monoisotopic Mass: 1.6
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]+	181.09715	138.6
[M+Na]+	203.07909	148.8
[M+NH4]+	198.12369	146.1
[M+K]+	219.05303	143.7
[M-H]-	179.08259	140.8
[M+Na-2H]-	201.06454	144.6
[M]+	180.08932	140.3
[M]-	180.09042	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe