CID 83679405

2309465-97-0

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

C1CNCCC12CC2C#N

InChI

InChI=1S/C8H12N2/c9-6-7-5-8(7)1-3-10-4-2-8/h7,10H,1-5H2

InChIKey

AQZWRHROKXGPPV-UHFFFAOYSA-N

Compound name

6-azaspiro[2.5]octane-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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	128.8
[M+Na]+	159.08927	143.2
[M-H]-	135.09277	133.9
[M+NH4]+	154.13387	146.0
[M+K]+	175.06321	136.4
[M+H-H2O]+	119.09731	119.6
[M+HCOO]-	181.09825	145.7
[M+CH3COO]-	195.11390	141.6
[M+Na-2H]-	157.07472	137.5
[M]+	136.09950	122.6
[M]-	136.10060	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe