CID 44593

63680-75-1

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: 8
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]+	217.097146	145.8
[M+Na]+	239.079088	153.6
[M-H]-	215.082594	150.5
[M+NH4]+	234.123693	164.4
[M+K]+	255.053028	152.3
[M+H-H2O]+	199.087130	138.1
[M+HCOO]-	261.088071	169.2
[M+CH3COO]-	275.103721	192.6
[M+Na-2H]-	237.064536	153.5
[M]+	216.08932142	148.3
[M]-	216.09041858	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe