CID 79809

Cyclopentaneacetonitrile

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

C1CCC(C1)CC#N

InChI

InChI=1S/C7H11N/c8-6-5-7-3-1-2-4-7/h7H,1-5H2

InChIKey

BKMDIBDWHXWKSV-UHFFFAOYSA-N

Compound name

2-cyclopentylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
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	125.3
[M+Na]+	132.07837	135.2
[M+NH4]+	127.12297	131.3
[M+K]+	148.05231	127.4
[M-H]-	108.08187	119.9
[M+Na-2H]-	130.06382	128.2
[M]+	109.08860	124.2
[M]-	109.08970	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe