CID 53627718

2-cyclobutylpropanenitrile

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

CC(C#N)C1CCC1

InChI

InChI=1S/C7H11N/c1-6(5-8)7-3-2-4-7/h6-7H,2-4H2,1H3

InChIKey

NVZWRBQRSDRIGC-UHFFFAOYSA-N

Compound name

2-cyclobutylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 109.08915 Da
Monoisotopic Mass: 2.1
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]+	110.09643	125.4
[M+Na]+	132.07837	131.8
[M+NH4]+	127.12297	127.7
[M+K]+	148.05231	125.1
[M-H]-	108.08187	117.8
[M+Na-2H]-	130.06382	126.4
[M]+	109.08860	122.3
[M]-	109.08970	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe