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]+ 289.21620 172.4
[M+Na]+ 311.19814 175.6
[M-H]- 287.20164 177.5
[M+NH4]+ 306.24274 187.8
[M+K]+ 327.17208 172.2
[M+H-H2O]+ 271.20618 164.4
[M+HCOO]- 333.20712 190.4
[M+CH3COO]- 347.22277 203.7
[M+Na-2H]- 309.18359 172.1
[M]+ 288.20837 171.1
[M]- 288.20947 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