CID 29960

Methylcarbamic acid 4-aminophenyl ester

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CNC(=O)OC1=CC=C(C=C1)N

InChI

InChI=1S/C8H10N2O2/c1-10-8(11)12-7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)

InChIKey

JFANLKHJWWLSAT-UHFFFAOYSA-N

Compound name

(4-aminophenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 166.07423 Da
Monoisotopic Mass: 0.8
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]+	167.08151	134.1
[M+Na]+	189.06345	144.5
[M+NH4]+	184.10805	141.7
[M+K]+	205.03739	139.7
[M-H]-	165.06695	136.4
[M+Na-2H]-	187.04890	140.3
[M]+	166.07368	135.9
[M]-	166.07478	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe