CID 524016

20717-43-5

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

CC1CCC2CCCCC2N1

InChI

InChI=1S/C10H19N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h8-11H,2-7H2,1H3

InChIKey

FJRLSRUBXMUSOC-UHFFFAOYSA-N

Compound name

2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 153.15175 Da
Monoisotopic Mass: 2.4
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]+	154.15903	136.3
[M+Na]+	176.14097	140.0
[M-H]-	152.14447	136.5
[M+NH4]+	171.18557	156.2
[M+K]+	192.11491	137.2
[M+H-H2O]+	136.14901	129.9
[M+HCOO]-	198.14995	150.3
[M+CH3COO]-	212.16560	174.7
[M+Na-2H]-	174.12642	140.8
[M]+	153.15120	127.0
[M]-	153.15230	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe