CID 16247

Aminocarb

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CC1=C(C=CC(=C1)OC(=O)NC)N(C)C

InChI

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

InChIKey

IMIDOCRTMDIQIJ-UHFFFAOYSA-N

Compound name

[4-(dimethylamino)-3-methylphenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 38
References: 10384
Patents: 208.12119 Da
Monoisotopic Mass: 1.9
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	146.6
[M+Na]+	231.110408	153.5
[M-H]-	207.113914	152.1
[M+NH4]+	226.155013	166.0
[M+K]+	247.084348	153.5
[M+H-H2O]+	191.118450	139.9
[M+HCOO]-	253.119391	172.7
[M+CH3COO]-	267.135041	195.7
[M+Na-2H]-	229.095856	150.8
[M]+	208.12064142	149.1
[M]-	208.12173858	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe