CID 175304

72928-32-6

Structural Information

Molecular Formula
C19H28O2
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)CCC
InChI
InChI=1S/C19H28O2/c1-3-5-15-7-9-16(10-8-15)17-11-13-18(14-12-17)21-19(20)6-4-2/h11-16H,3-10H2,1-2H3
InChIKey
SBQJMHWEPWADHS-UHFFFAOYSA-N
Compound name
[4-(4-propylcyclohexyl)phenyl] butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

288.20892 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.216196 172.4
[M+Na]+ 311.198138 175.6
[M-H]- 287.201644 177.5
[M+NH4]+ 306.242743 187.8
[M+K]+ 327.172078 172.2
[M+H-H2O]+ 271.206180 164.4
[M+HCOO]- 333.207121 190.4
[M+CH3COO]- 347.222771 203.7
[M+Na-2H]- 309.183586 172.1
[M]+ 288.20837142 171.1
[M]- 288.20946858 171.1
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

patents stripe