CID 22931215

1542372-94-0

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

C1CC2CC(CCN2C1)C#N

InChI

InChI=1S/C9H14N2/c10-7-8-3-5-11-4-1-2-9(11)6-8/h8-9H,1-6H2

InChIKey

FMJFHKPQFBKCKZ-UHFFFAOYSA-N

Compound name

1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 150.11569 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]+	151.12297	137.7
[M+Na]+	173.10491	147.5
[M+NH4]+	168.14951	143.7
[M+K]+	189.07885	139.3
[M-H]-	149.10841	132.1
[M+Na-2H]-	171.09036	139.0
[M]+	150.11514	136.5
[M]-	150.11624	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe