CID 31955

Cga 13608

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CNC(=O)OC1=CC=CC=C1N(C)CC#C

InChI

InChI=1S/C12H14N2O2/c1-4-9-14(3)10-7-5-6-8-11(10)16-12(15)13-2/h1,5-8H,9H2,2-3H3,(H,13,15)

InChIKey

GJYRCEALCUOYBO-UHFFFAOYSA-N

Compound name

[2-[methyl(prop-2-ynyl)amino]phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1561
Patents: 218.10553 Da
Monoisotopic Mass: 1.7
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]+	219.112806	152.1
[M+Na]+	241.094748	160.2
[M-H]-	217.098254	155.1
[M+NH4]+	236.139353	168.4
[M+K]+	257.068688	157.9
[M+H-H2O]+	201.102790	139.1
[M+HCOO]-	263.103731	171.7
[M+CH3COO]-	277.119381	202.4
[M+Na-2H]-	239.080196	155.2
[M]+	218.10498142	148.0
[M]-	218.10607858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe