CID 3020105

84731-69-1

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCOC(=O)C1CCC(CC1)C(C)(C)C
InChI
InChI=1S/C15H28O2/c1-5-6-11-17-14(16)12-7-9-13(10-8-12)15(2,3)4/h12-13H,5-11H2,1-4H3
InChIKey
JAJKHHAYOBZFSU-UHFFFAOYSA-N
Compound name
butyl 4-tert-butylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 161.2
[M+Na]+ 263.198138 164.6
[M-H]- 239.201644 163.4
[M+NH4]+ 258.242743 179.1
[M+K]+ 279.172078 163.2
[M+H-H2O]+ 223.206180 155.5
[M+HCOO]- 285.207121 177.6
[M+CH3COO]- 299.222771 194.7
[M+Na-2H]- 261.183586 162.2
[M]+ 240.20837142 160.4
[M]- 240.20946858 160.4
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.