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: 141
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]+	110.096426	122.6
[M+Na]+	132.078368	131.3
[M-H]-	108.081874	125.6
[M+NH4]+	127.122973	144.7
[M+K]+	148.052308	128.9
[M+H-H2O]+	92.086410	110.9
[M+HCOO]-	154.087351	142.2
[M+CH3COO]-	168.103001	181.2
[M+Na-2H]-	130.063816	127.7
[M]+	109.08860142	115.1
[M]-	109.08969858	115.1

Literature stripe

literature stripe

Patent stripe

patents stripe