CID 49106

67049-80-3

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]+	181.097146	138.2
[M+Na]+	203.079088	145.0
[M-H]-	179.082594	143.1
[M+NH4]+	198.123693	158.1
[M+K]+	219.053028	145.1
[M+H-H2O]+	163.087130	131.6
[M+HCOO]-	225.088071	164.4
[M+CH3COO]-	239.103721	187.8
[M+Na-2H]-	201.064536	143.1
[M]+	180.08932142	138.5
[M]-	180.09041858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe