CID 10953579

1074-06-2

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

C1CCC2=NCCCC2C1

InChI

InChI=1S/C9H15N/c1-2-6-9-8(4-1)5-3-7-10-9/h8H,1-7H2

InChIKey

CHNGBZJSFRNNKJ-UHFFFAOYSA-N

Compound name

2,3,4,4a,5,6,7,8-octahydroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 137.12045 Da
Monoisotopic Mass: 1.4
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]+	138.12773	129.1
[M+Na]+	160.10967	133.7
[M-H]-	136.11317	130.8
[M+NH4]+	155.15427	150.1
[M+K]+	176.08361	131.8
[M+H-H2O]+	120.11771	122.4
[M+HCOO]-	182.11865	146.4
[M+CH3COO]-	196.13430	141.2
[M+Na-2H]-	158.09512	136.5
[M]+	137.11990	122.4
[M]-	137.12100	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe