CID 46067

8-quinolyl methylcarbamate

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

CNC(=O)OC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C11H10N2O2/c1-12-11(14)15-9-6-2-4-8-5-3-7-13-10(8)9/h2-7H,1H3,(H,12,14)

InChIKey

IKDLGQPAGQGDGZ-UHFFFAOYSA-N

Compound name

quinolin-8-yl N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 202.07423 Da
Monoisotopic Mass: 1.9
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]+	203.081506	141.1
[M+Na]+	225.063448	149.3
[M-H]-	201.066954	144.6
[M+NH4]+	220.108053	159.7
[M+K]+	241.037388	146.8
[M+H-H2O]+	185.071490	133.9
[M+HCOO]-	247.072431	164.4
[M+CH3COO]-	261.088081	186.1
[M+Na-2H]-	223.048896	150.2
[M]+	202.07368142	142.1
[M]-	202.07477858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe