CID 12798249

Hyquincarb

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

CC1=CC(=C2CCCCC2=N1)OC(=O)N(C)C

InChI

InChI=1S/C13H18N2O2/c1-9-8-12(17-13(16)15(2)3)10-6-4-5-7-11(10)14-9/h8H,4-7H2,1-3H3

InChIKey

UGDSMVBQVGFJGW-UHFFFAOYSA-N

Compound name

(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4761
Patents: 234.13683 Da
Monoisotopic Mass: 2.2
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]+	235.14411	153.0
[M+Na]+	257.12605	159.2
[M-H]-	233.12955	157.1
[M+NH4]+	252.17065	171.0
[M+K]+	273.09999	158.2
[M+H-H2O]+	217.13409	145.4
[M+HCOO]-	279.13503	173.0
[M+CH3COO]-	293.15068	197.5
[M+Na-2H]-	255.11150	157.4
[M]+	234.13628	153.4
[M]-	234.13738	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe