CID 568251

Methyl 2-cyclohexyl-2-methylpentanoate

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCC(C)(C1CCCCC1)C(=O)OC
InChI
InChI=1S/C13H24O2/c1-4-10-13(2,12(14)15-3)11-8-6-5-7-9-11/h11H,4-10H2,1-3H3
InChIKey
VCCZXUFUICXVRJ-UHFFFAOYSA-N
Compound name
methyl 2-cyclohexyl-2-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.17763 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 152.8
[M+Na]+ 235.166848 155.9
[M-H]- 211.170354 154.9
[M+NH4]+ 230.211453 171.3
[M+K]+ 251.140788 155.1
[M+H-H2O]+ 195.174890 147.1
[M+HCOO]- 257.175831 169.8
[M+CH3COO]- 271.191481 188.2
[M+Na-2H]- 233.152296 155.4
[M]+ 212.17708142 150.9
[M]- 212.17817858 150.9
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.