CID 118156

34362-41-9

Structural Information

Molecular Formula
C13H24O2
SMILES
CC(CC1CCCCC1)C(C)OC(=O)C
InChI
InChI=1S/C13H24O2/c1-10(11(2)15-12(3)14)9-13-7-5-4-6-8-13/h10-11,13H,4-9H2,1-3H3
InChIKey
RHMWRFZWUIGVGE-UHFFFAOYSA-N
Compound name
(4-cyclohexyl-3-methylbutan-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

212.17763 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 153.8
[M+Na]+ 235.16685 156.0
[M-H]- 211.17035 155.8
[M+NH4]+ 230.21145 172.1
[M+K]+ 251.14079 155.6
[M+H-H2O]+ 195.17489 147.7
[M+HCOO]- 257.17583 170.3
[M+CH3COO]- 271.19148 189.6
[M+Na-2H]- 233.15230 153.1
[M]+ 212.17708 151.1
[M]- 212.17818 151.1
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.