CID 4644897

Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate

Structural Information

Molecular Formula
C13H24O2
SMILES
CC1CC(CCC1C(=O)OC)C(C)(C)C
InChI
InChI=1S/C13H24O2/c1-9-8-10(13(2,3)4)6-7-11(9)12(14)15-5/h9-11H,6-8H2,1-5H3
InChIKey
NYEXNQKLWCUFKZ-UHFFFAOYSA-N
Compound name
methyl 4-tert-butyl-2-methylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.17763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 151.4
[M+Na]+ 235.16685 161.1
[M+NH4]+ 230.21145 159.1
[M+K]+ 251.14079 156.1
[M-H]- 211.17035 152.2
[M+Na-2H]- 233.15230 154.6
[M]+ 212.17708 152.9
[M]- 212.17818 152.9
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.