CID 3398613

32213-55-1

Structural Information

Molecular Formula
C19H28O2
SMILES
CC1CCC(C(C1)OC(=O)C(C)C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C19H28O2/c1-13(2)17-11-10-14(3)12-18(17)21-19(20)15(4)16-8-6-5-7-9-16/h5-9,13-15,17-18H,10-12H2,1-4H3
InChIKey
HZQGVIGDGRFMNJ-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-ylcyclohexyl) 2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.20892 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.216196 171.7
[M+Na]+ 311.198138 174.4
[M-H]- 287.201644 177.0
[M+NH4]+ 306.242743 187.0
[M+K]+ 327.172078 172.0
[M+H-H2O]+ 271.206180 164.2
[M+HCOO]- 333.207121 187.7
[M+CH3COO]- 347.222771 205.5
[M+Na-2H]- 309.183586 169.1
[M]+ 288.20837142 169.3
[M]- 288.20946858 169.3
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.