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: 1238
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]+	219.11281	151.5
[M+Na]+	241.09475	161.6
[M+NH4]+	236.13935	155.2
[M+K]+	257.06869	153.1
[M-H]-	217.09825	145.8
[M+Na-2H]-	239.08020	154.2
[M]+	218.10498	150.3
[M]-	218.10608	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe