CID 146049432

2-(2-methylidenecyclopentyl)acetonitrile

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

C=C1CCCC1CC#N

InChI

InChI=1S/C8H11N/c1-7-3-2-4-8(7)5-6-9/h8H,1-5H2

InChIKey

XTSJQXBHTOPAGA-UHFFFAOYSA-N

Compound name

2-(2-methylidenecyclopentyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 121.08915 Da
Monoisotopic Mass: 1.6
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]+	122.09643	125.9
[M+Na]+	144.07837	135.4
[M-H]-	120.08187	129.2
[M+NH4]+	139.12297	147.9
[M+K]+	160.05231	132.2
[M+H-H2O]+	104.08641	114.5
[M+HCOO]-	166.08735	145.5
[M+CH3COO]-	180.10300	184.1
[M+Na-2H]-	142.06382	129.9
[M]+	121.08860	118.5
[M]-	121.08970	118.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.