CID 46107

Carbamic acid, n-methyl-, 3-(dimethylamino)phenyl ester, hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C10H14N2O2/c1-11-10(13)14-9-6-4-5-8(7-9)12(2)3/h4-7H,1-3H3,(H,11,13)

InChIKey

JNABVZFXUJTCSF-UHFFFAOYSA-N

Compound name

[3-(dimethylamino)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 194.10553 Da
Monoisotopic Mass: 1.4
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]+	195.11281	142.3
[M+Na]+	217.09475	148.8
[M-H]-	193.09825	147.6
[M+NH4]+	212.13935	162.0
[M+K]+	233.06869	148.9
[M+H-H2O]+	177.10279	135.5
[M+HCOO]-	239.10373	168.8
[M+CH3COO]-	253.11938	191.4
[M+Na-2H]-	215.08020	147.8
[M]+	194.10498	144.1
[M]-	194.10608	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe