CID 49104

67049-79-0

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CN(C)C(=O)OC1=CC=CC=C1CN

InChI

InChI=1S/C10H14N2O2/c1-12(2)10(13)14-9-6-4-3-5-8(9)7-11/h3-6H,7,11H2,1-2H3

InChIKey

LLRSCVNRKDXMQK-UHFFFAOYSA-N

Compound name

[2-(aminomethyl)phenyl] N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: 0.4
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]+	195.112806	142.9
[M+Na]+	217.094748	149.3
[M-H]-	193.098254	147.6
[M+NH4]+	212.139353	162.3
[M+K]+	233.068688	149.1
[M+H-H2O]+	177.102790	136.1
[M+HCOO]-	239.103731	168.7
[M+CH3COO]-	253.119381	190.8
[M+Na-2H]-	215.080196	147.3
[M]+	194.10498142	143.6
[M]-	194.10607858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.