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]+ 165.102236 139.9
[M+Na]+ 187.084178 146.1
[M-H]- 163.087684 142.0
[M+NH4]+ 182.128783 157.4
[M+K]+ 203.058118 143.4
[M+H-H2O]+ 147.092220 127.8
[M+HCOO]- 209.093161 156.0
[M+CH3COO]- 223.108811 191.6
[M+Na-2H]- 185.069626 141.7
[M]+ 164.09441142 128.2
[M]- 164.09550858 128.2
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