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
1
Annotation Hits

0
References

375
Patents

222.19836 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 155.8
[M+Na]+ 245.18758 157.8
[M-H]- 221.19108 160.5
[M+NH4]+ 240.23218 173.7
[M+K]+ 261.16152 155.0
[M+H-H2O]+ 205.19562 148.7
[M+HCOO]- 267.19656 171.5
[M+CH3COO]- 281.21221 190.7
[M+Na-2H]- 243.17303 155.8
[M]+ 222.19781 148.0
[M]- 222.19891 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.