CID 4354185

(1,1'-bicyclohexyl)-4-one,4'-propyl-,

Structural Information

Molecular Formula
C15H26O
SMILES
CCCC1CCC(CC1)C2CCC(=O)CC2
InChI
InChI=1S/C15H26O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h12-14H,2-11H2,1H3
InChIKey
AKCZQKBKWXBJOF-UHFFFAOYSA-N
Compound name
4-(4-propylcyclohexyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

378
Patents

222.19836 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 155.8
[M+Na]+ 245.187578 157.8
[M-H]- 221.191084 160.5
[M+NH4]+ 240.232183 173.7
[M+K]+ 261.161518 155.0
[M+H-H2O]+ 205.195620 148.7
[M+HCOO]- 267.196561 171.5
[M+CH3COO]- 281.212211 190.7
[M+Na-2H]- 243.173026 155.8
[M]+ 222.19781142 148.0
[M]- 222.19890858 148.0
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