CID 38108

N-(4-hexyl-1-cyclohexyl)acetamide

Structural Information

Molecular Formula
C14H27NO
SMILES
CCCCCCC1CCC(CC1)NC(=O)C
InChI
InChI=1S/C14H27NO/c1-3-4-5-6-7-13-8-10-14(11-9-13)15-12(2)16/h13-14H,3-11H2,1-2H3,(H,15,16)
InChIKey
BFXNCPHZEARTKG-UHFFFAOYSA-N
Compound name
N-(4-hexylcyclohexyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.21654 158.5
[M+Na]+ 248.19848 160.8
[M-H]- 224.20198 160.3
[M+NH4]+ 243.24308 176.3
[M+K]+ 264.17242 158.6
[M+H-H2O]+ 208.20652 151.8
[M+HCOO]- 270.20746 177.4
[M+CH3COO]- 284.22311 194.9
[M+Na-2H]- 246.18393 159.3
[M]+ 225.20871 155.5
[M]- 225.20981 155.5
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

patents stripe