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]+ 289.21620 171.7
[M+Na]+ 311.19814 174.4
[M-H]- 287.20164 177.0
[M+NH4]+ 306.24274 187.0
[M+K]+ 327.17208 172.0
[M+H-H2O]+ 271.20618 164.2
[M+HCOO]- 333.20712 187.7
[M+CH3COO]- 347.22277 205.5
[M+Na-2H]- 309.18359 169.1
[M]+ 288.20837 169.3
[M]- 288.20947 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.