CID 109421

Einecs 270-896-8

Structural Information

Molecular Formula
C16H28O2
SMILES
CC1COC(O1)(C)CCC2C(=CCCC2(C)C)C
InChI
InChI=1S/C16H28O2/c1-12-7-6-9-15(3,4)14(12)8-10-16(5)17-11-13(2)18-16/h7,13-14H,6,8-11H2,1-5H3
InChIKey
OJMGTOSDJXUMLL-UHFFFAOYSA-N
Compound name
2,4-dimethyl-2-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethyl]-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

252.20892 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.216196 158.3
[M+Na]+ 275.198138 164.8
[M-H]- 251.201644 165.9
[M+NH4]+ 270.242743 179.1
[M+K]+ 291.172078 164.9
[M+H-H2O]+ 235.206180 153.9
[M+HCOO]- 297.207121 175.6
[M+CH3COO]- 311.222771 196.3
[M+Na-2H]- 273.183586 161.4
[M]+ 252.20837142 159.2
[M]- 252.20946858 159.2
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.