CID 14789762

2-(3,3-dimethylcyclobutyl)acetonitrile

Structural Information

Molecular Formula

C₈H₁₃N

SMILES

CC1(CC(C1)CC#N)C

InChI

InChI=1S/C8H13N/c1-8(2)5-7(6-8)3-4-9/h7H,3,5-6H2,1-2H3

InChIKey

CILLCBIISHUFGI-UHFFFAOYSA-N

Compound name

2-(3,3-dimethylcyclobutyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 123.1048 Da
Monoisotopic Mass: 2.2
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]+	124.11208	125.8
[M+Na]+	146.09402	132.8
[M+NH4]+	141.13862	129.3
[M+K]+	162.06796	124.2
[M-H]-	122.09752	118.4
[M+Na-2H]-	144.07947	128.2
[M]+	123.10425	123.0
[M]-	123.10535	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.