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
2
Annotation Hits

0
References

2
Patents

254.22458 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 163.2
[M+Na]+ 277.21380 167.1
[M-H]- 253.21730 165.8
[M+NH4]+ 272.25840 182.6
[M+K]+ 293.18774 166.4
[M+H-H2O]+ 237.22184 158.4
[M+HCOO]- 299.22278 178.8
[M+CH3COO]- 313.23843 200.5
[M+Na-2H]- 275.19925 161.2
[M]+ 254.22403 162.8
[M]- 254.22513 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