CID 263654

2-cyano-2-cyclohexylideneacetamide

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1CCC(=C(C#N)C(=O)N)CC1
InChI
InChI=1S/C9H12N2O/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5H2,(H2,11,12)
InChIKey
HPLVMKGWFQBJOV-UHFFFAOYSA-N
Compound name
2-cyano-2-cyclohexylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

164.09496 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 142.3
[M+Na]+ 187.08418 150.3
[M+NH4]+ 182.12878 146.4
[M+K]+ 203.05812 142.4
[M-H]- 163.08768 136.2
[M+Na-2H]- 185.06963 143.2
[M]+ 164.09441 140.5
[M]- 164.09551 140.5
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