CID 118998009

1788054-86-3

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

C1CC2CNCC1C2C#N

InChI

InChI=1S/C8H12N2/c9-3-8-6-1-2-7(8)5-10-4-6/h6-8,10H,1-2,4-5H2

InChIKey

BVPPILBMDPTIOZ-UHFFFAOYSA-N

Compound name

3-azabicyclo[3.2.1]octane-8-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 136.10005 Da
Monoisotopic Mass: 0.3
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	134.1
[M+Na]+	159.08927	143.5
[M+NH4]+	154.13387	140.0
[M+K]+	175.06321	135.6
[M-H]-	135.09277	127.3
[M+Na-2H]-	157.07472	134.1
[M]+	136.09950	132.4
[M]-	136.10060	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.