CID 108426

60241-55-6

Structural Information

Molecular Formula
C16H30O2
SMILES
CC1CCCC(C1CC(C)C(C)OC(=O)C)(C)C
InChI
InChI=1S/C16H30O2/c1-11-8-7-9-16(5,6)15(11)10-12(2)13(3)18-14(4)17/h11-13,15H,7-10H2,1-6H3
InChIKey
URFHDVSDYWQMJU-UHFFFAOYSA-N
Compound name
[3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

254.22458 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.231856 163.2
[M+Na]+ 277.213798 167.1
[M-H]- 253.217304 165.8
[M+NH4]+ 272.258403 182.6
[M+K]+ 293.187738 166.4
[M+H-H2O]+ 237.221840 158.4
[M+HCOO]- 299.222781 178.8
[M+CH3COO]- 313.238431 200.5
[M+Na-2H]- 275.199246 161.2
[M]+ 254.22403142 162.8
[M]- 254.22512858 162.8
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

patents stripe