CID 97812

Decahydroisoquinoline

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CCC2CNCCC2C1

InChI

InChI=1S/C9H17N/c1-2-4-9-7-10-6-5-8(9)3-1/h8-10H,1-7H2

InChIKey

NENLYAQPNATJSU-UHFFFAOYSA-N

Compound name

1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 29
References: 17588
Patents: 139.1361 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]+	140.14338	131.7
[M+Na]+	162.12532	134.9
[M-H]-	138.12882	131.7
[M+NH4]+	157.16992	151.8
[M+K]+	178.09926	132.3
[M+H-H2O]+	122.13336	125.2
[M+HCOO]-	184.13430	146.0
[M+CH3COO]-	198.14995	142.5
[M+Na-2H]-	160.11077	137.5
[M]+	139.13555	121.7
[M]-	139.13665	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe