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]+ 213.184906 153.8
[M+Na]+ 235.166848 156.0
[M-H]- 211.170354 155.8
[M+NH4]+ 230.211453 172.1
[M+K]+ 251.140788 155.6
[M+H-H2O]+ 195.174890 147.7
[M+HCOO]- 257.175831 170.3
[M+CH3COO]- 271.191481 189.6
[M+Na-2H]- 233.152296 153.1
[M]+ 212.17708142 151.1
[M]- 212.17817858 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.