CID 49106

Dimethylcarbamic acid 2-aminophenyl ester hydrochloride

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

CN(C)C(=O)OC1=CC=CC=C1N

InChI

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

InChIKey

DBTRZCIJZNZMHV-UHFFFAOYSA-N

Compound name

(2-aminophenyl) N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 180.08987 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]+	181.09715	138.5
[M+Na]+	203.07909	149.0
[M+NH4]+	198.12369	146.2
[M+K]+	219.05303	144.3
[M-H]-	179.08259	141.1
[M+Na-2H]-	201.06454	144.7
[M]+	180.08932	140.4
[M]-	180.09042	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe