CID 206764

Propanamide, 2-(4-cyclohexyl-1-cyclohexen-1-yl)-n-ethyl-

Structural Information

Molecular Formula
C17H29NO
SMILES
CCNC(=O)C(C)C1=CCC(CC1)C2CCCCC2
InChI
InChI=1S/C17H29NO/c1-3-18-17(19)13(2)14-9-11-16(12-10-14)15-7-5-4-6-8-15/h9,13,15-16H,3-8,10-12H2,1-2H3,(H,18,19)
InChIKey
SXQKVUQFXDWGFG-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylcyclohexen-1-yl)-N-ethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.2249 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.232176 167.5
[M+Na]+ 286.214118 167.5
[M-H]- 262.217624 171.8
[M+NH4]+ 281.258723 183.1
[M+K]+ 302.188058 164.8
[M+H-H2O]+ 246.222160 159.7
[M+HCOO]- 308.223101 183.0
[M+CH3COO]- 322.238751 201.1
[M+Na-2H]- 284.199566 166.1
[M]+ 263.22435142 159.5
[M]- 263.22544858 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.