CID 67965384

4-cyclopentyl-2-butenenitrile

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

C1CCC(C1)C/C=C/C#N

InChI

InChI=1S/C9H13N/c10-8-4-3-7-9-5-1-2-6-9/h3-4,9H,1-2,5-7H2/b4-3+

InChIKey

POWTZBRKRMRAKX-ONEGZZNKSA-N

Compound name

(E)-4-cyclopentylbut-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 135.1048 Da
Monoisotopic Mass: 2.9
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]+	136.112076	131.0
[M+Na]+	158.094018	139.3
[M-H]-	134.097524	133.7
[M+NH4]+	153.138623	152.1
[M+K]+	174.067958	135.8
[M+H-H2O]+	118.102060	119.1
[M+HCOO]-	180.103001	150.2
[M+CH3COO]-	194.118651	185.2
[M+Na-2H]-	156.079466	135.0
[M]+	135.10425142	123.4
[M]-	135.10534858	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe