CID 12210937

2411261-00-0

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

C1CCC2=C(C1)CCNC2

InChI

InChI=1S/C9H15N/c1-2-4-9-7-10-6-5-8(9)3-1/h10H,1-7H2

InChIKey

YBYCJQQRZPXLHU-UHFFFAOYSA-N

Compound name

1,2,3,4,5,6,7,8-octahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 137.12045 Da
Monoisotopic Mass: 1.0
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	130.5
[M+Na]+	160.10967	142.1
[M+NH4]+	155.15427	140.8
[M+K]+	176.08361	134.7
[M-H]-	136.11317	133.1
[M+Na-2H]-	158.09512	136.2
[M]+	137.11990	132.8
[M]-	137.12100	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe