CID 26982

Bicyclo[2.2.2]oct-2-ene-2-carbonitrile

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C1CC2CCC1C=C2C#N

InChI

InChI=1S/C9H11N/c10-6-9-5-7-1-3-8(9)4-2-7/h5,7-8H,1-4H2

InChIKey

ZTMRDYCYTDGUEY-UHFFFAOYSA-N

Compound name

bicyclo[2.2.2]oct-2-ene-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 133.08914 Da
Monoisotopic Mass: 2.3
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]+	134.09642	135.3
[M+Na]+	156.07836	146.4
[M+NH4]+	151.12296	143.4
[M+K]+	172.05230	135.3
[M-H]-	132.08186	128.0
[M+Na-2H]-	154.06381	133.3
[M]+	133.08859	134.0
[M]-	133.08969	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe