CID 97105

2-cyclohexylideneacetonitrile

Structural Information

Molecular Formula
C8H11N
SMILES
C1CCC(=CC#N)CC1
InChI
InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h6H,1-5H2
InChIKey
VLRQRRQHXZCEDL-UHFFFAOYSA-N
Compound name
2-cyclohexylideneacetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

178
Patents

121.08915 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.09643 130.5
[M+Na]+ 144.07837 141.2
[M+NH4]+ 139.12297 136.4
[M+K]+ 160.05231 131.2
[M-H]- 120.08187 125.6
[M+Na-2H]- 142.06382 133.8
[M]+ 121.08860 129.7
[M]- 121.08970 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe