CID 240197

71617-13-5

Structural Information

Molecular Formula
C13H24O
SMILES
CCC(=O)C1CC(CCC1C)C(C)C
InChI
InChI=1S/C13H24O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h9-12H,5-8H2,1-4H3
InChIKey
WRFTWUYODLYHDR-UHFFFAOYSA-N
Compound name
1-(2-methyl-5-propan-2-ylcyclohexyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 148.2
[M+Na]+ 219.171928 152.5
[M-H]- 195.175434 150.9
[M+NH4]+ 214.216533 167.9
[M+K]+ 235.145868 151.3
[M+H-H2O]+ 179.179970 142.8
[M+HCOO]- 241.180911 165.5
[M+CH3COO]- 255.196561 189.7
[M+Na-2H]- 217.157376 147.6
[M]+ 196.18216142 145.5
[M]- 196.18325858 145.5
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.