CID 139595468

95149-34-1

Structural Information

Molecular Formula
C19H28O
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)CCC
InChI
InChI=1S/C19H28O/c1-3-5-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20)6-4-2/h11-16H,3-10H2,1-2H3
InChIKey
ITFMHXVKWITXOR-UHFFFAOYSA-N
Compound name
1-[4-(4-propylcyclohexyl)phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.21402 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.221296 168.7
[M+Na]+ 295.203238 171.9
[M-H]- 271.206744 173.8
[M+NH4]+ 290.247843 184.8
[M+K]+ 311.177178 167.9
[M+H-H2O]+ 255.211280 161.0
[M+HCOO]- 317.212221 186.5
[M+CH3COO]- 331.227871 202.4
[M+Na-2H]- 293.188686 168.4
[M]+ 272.21347142 166.1
[M]- 272.21456858 166.1
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.