CID 44153657

(1alpha,2beta,5alpha)-5-isopropenyl-2-methylcyclohexyl isovalerate

Structural Information

Molecular Formula
C15H26O2
SMILES
C[C@H]1CC[C@@H](C[C@@H]1OC(=O)CC(C)C)C(=C)C
InChI
InChI=1S/C15H26O2/c1-10(2)8-15(16)17-14-9-13(11(3)4)7-6-12(14)5/h10,12-14H,3,6-9H2,1-2,4-5H3/t12-,13-,14-/m0/s1
InChIKey
HCPAIAFKHZTLIH-IHRRRGAJSA-N
Compound name
[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl] 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 159.6
[M+Na]+ 261.18250 168.5
[M+NH4]+ 256.22710 166.6
[M+K]+ 277.15644 163.3
[M-H]- 237.18600 160.2
[M+Na-2H]- 259.16795 161.5
[M]+ 238.19273 160.7
[M]- 238.19383 160.7
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.