CID 44957

16088-19-0

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CN(C)C1=CC(=CC=C1)OC(=O)N(C)C

InChI

InChI=1S/C11H16N2O2/c1-12(2)9-6-5-7-10(8-9)15-11(14)13(3)4/h5-8H,1-4H3

InChIKey

FWNHTEHWJKUVPG-UHFFFAOYSA-N

Compound name

[3-(dimethylamino)phenyl] N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 144
Patents: 208.12119 Da
Monoisotopic Mass: 1.8
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]+	209.128466	146.8
[M+Na]+	231.110408	153.0
[M-H]-	207.113914	153.4
[M+NH4]+	226.155013	166.6
[M+K]+	247.084348	154.3
[M+H-H2O]+	191.118450	139.7
[M+HCOO]-	253.119391	173.4
[M+CH3COO]-	267.135041	198.0
[M+Na-2H]-	229.095856	151.0
[M]+	208.12064142	150.2
[M]-	208.12173858	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe