CID 44593

Carbamic acid, dimethyl-, 8-quinolinyl ester, hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

CN(C)C(=O)OC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C12H12N2O2/c1-14(2)12(15)16-10-7-3-5-9-6-4-8-13-11(9)10/h3-8H,1-2H3

InChIKey

VCSGVHPHQVIBAP-UHFFFAOYSA-N

Compound name

quinolin-8-yl N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7
Patents: 216.08987 Da
Monoisotopic Mass: 2.0
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]+	217.09715	145.9
[M+Na]+	239.07909	159.1
[M+NH4]+	234.12369	154.4
[M+K]+	255.05303	152.9
[M-H]-	215.08259	148.7
[M+Na-2H]-	237.06454	153.4
[M]+	216.08932	148.5
[M]-	216.09042	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe