CID 84064238

2,2-dicyclobutylacetonitrile

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

C1CC(C1)C(C#N)C2CCC2

InChI

InChI=1S/C10H15N/c11-7-10(8-3-1-4-8)9-5-2-6-9/h8-10H,1-6H2

InChIKey

FCDWEAAUGOOYOT-UHFFFAOYSA-N

Compound name

2,2-di(cyclobutyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.12045 Da
Monoisotopic Mass: 3.3
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]+	150.127726	119.5
[M+Na]+	172.109668	123.6
[M-H]-	148.113174	124.7
[M+NH4]+	167.154273	126.5
[M+K]+	188.083608	129.4
[M+H-H2O]+	132.117710	100.4
[M+HCOO]-	194.118651	134.3
[M+CH3COO]-	208.134301	201.1
[M+Na-2H]-	170.095116	123.8
[M]+	149.11990142	127.0
[M]-	149.12099858	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.