CID 26787

Giegy gs-13798

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

CC1=NC2=C(C=CC=C2OC(=O)NC)C=C1

InChI

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

InChIKey

VJTZIJOEPIURRT-UHFFFAOYSA-N

Compound name

(2-methylquinolin-8-yl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 238
Patents: 216.08987 Da
Monoisotopic Mass: 2.3
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	145.9
[M+Na]+	239.079088	154.6
[M-H]-	215.082594	149.6
[M+NH4]+	234.123693	164.3
[M+K]+	255.053028	151.9
[M+H-H2O]+	199.087130	138.7
[M+HCOO]-	261.088071	168.8
[M+CH3COO]-	275.103721	190.3
[M+Na-2H]-	237.064536	153.7
[M]+	216.08932142	147.7
[M]-	216.09041858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe