CID 11029899

Hexahydro-1h-pyrrolizine-7a-carbonitrile

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

C1CC2(CCCN2C1)C#N

InChI

InChI=1S/C8H12N2/c9-7-8-3-1-5-10(8)6-2-4-8/h1-6H2

InChIKey

DZPUBMXGEQJERB-UHFFFAOYSA-N

Compound name

1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 136.10005 Da
Monoisotopic Mass: 0.9
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]+	137.10733	129.4
[M+Na]+	159.08927	139.5
[M-H]-	135.09277	131.7
[M+NH4]+	154.13387	153.4
[M+K]+	175.06321	134.6
[M+H-H2O]+	119.09731	117.1
[M+HCOO]-	181.09825	146.9
[M+CH3COO]-	195.11390	141.8
[M+Na-2H]-	157.07472	134.2
[M]+	136.09950	121.3
[M]-	136.10060	121.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe