CID 113724

63715-96-8

Structural Information

Molecular Formula
C16H28O5
SMILES
CC1CC(CC(C1)(C)C)OCC(COC(=O)C)OC(=O)C
InChI
InChI=1S/C16H28O5/c1-11-6-14(8-16(4,5)7-11)20-10-15(21-13(3)18)9-19-12(2)17/h11,14-15H,6-10H2,1-5H3
InChIKey
SRXIDOKQJSNPIT-UHFFFAOYSA-N
Compound name
[2-acetyloxy-3-(3,3,5-trimethylcyclohexyl)oxypropyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.19366 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.20094 170.6
[M+Na]+ 323.18288 174.5
[M-H]- 299.18638 173.1
[M+NH4]+ 318.22748 187.8
[M+K]+ 339.15682 175.0
[M+H-H2O]+ 283.19092 165.4
[M+HCOO]- 345.19186 187.0
[M+CH3COO]- 359.20751 205.2
[M+Na-2H]- 321.16833 169.0
[M]+ 300.19311 173.9
[M]- 300.19421 173.9
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.