CID 139595636

95149-35-2

Structural Information

Molecular Formula
C20H30O
SMILES
CCCCC(=O)C1=CC=C(C=C1)C2CCC(CC2)CCC
InChI
InChI=1S/C20H30O/c1-3-5-7-20(21)19-14-12-18(13-15-19)17-10-8-16(6-4-2)9-11-17/h12-17H,3-11H2,1-2H3
InChIKey
JSLOWJIMCIZBEY-UHFFFAOYSA-N
Compound name
1-[4-(4-propylcyclohexyl)phenyl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.22968 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.236956 173.3
[M+Na]+ 309.218898 176.1
[M-H]- 285.222404 178.2
[M+NH4]+ 304.263503 188.8
[M+K]+ 325.192838 171.8
[M+H-H2O]+ 269.226940 165.3
[M+HCOO]- 331.227881 190.7
[M+CH3COO]- 345.243531 205.4
[M+Na-2H]- 307.204346 172.4
[M]+ 286.22913142 171.0
[M]- 286.23022858 171.0
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.