CID 131397298

2361636-59-9

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

C1CC2(C1)CNCC2C#N

InChI

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

InChIKey

HCOHKVUTXVNCIZ-UHFFFAOYSA-N

Compound name

6-azaspiro[3.4]octane-8-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 136.10005 Da
Monoisotopic Mass: 0.4
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	123.3
[M+Na]+	159.08927	130.9
[M-H]-	135.09277	125.8
[M+NH4]+	154.13387	138.8
[M+K]+	175.06321	130.5
[M+H-H2O]+	119.09731	107.6
[M+HCOO]-	181.09825	138.7
[M+CH3COO]-	195.11390	185.2
[M+Na-2H]-	157.07472	128.8
[M]+	136.09950	121.3
[M]-	136.10060	121.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe