CID 3075007

171011-10-2

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

CC(C)COC1=C(C=C2CCCCC2=N1)C(=O)N

InChI

InChI=1S/C14H20N2O2/c1-9(2)8-18-14-11(13(15)17)7-10-5-3-4-6-12(10)16-14/h7,9H,3-6,8H2,1-2H3,(H2,15,17)

InChIKey

ISYGCRPSLLZAFQ-UHFFFAOYSA-N

Compound name

2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.15248 Da
Monoisotopic Mass: 2.6
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]+	249.159756	158.2
[M+Na]+	271.141698	163.4
[M-H]-	247.145204	160.1
[M+NH4]+	266.186303	174.5
[M+K]+	287.115638	160.9
[M+H-H2O]+	231.149740	150.7
[M+HCOO]-	293.150681	175.8
[M+CH3COO]-	307.166331	198.7
[M+Na-2H]-	269.127146	160.6
[M]+	248.15193142	156.3
[M]-	248.15302858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.