CID 109421

68480-19-3

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]+ 253.21620 159.4
[M+Na]+ 275.19814 170.4
[M+NH4]+ 270.24274 170.8
[M+K]+ 291.17208 162.4
[M-H]- 251.20164 165.5
[M+Na-2H]- 273.18359 165.9
[M]+ 252.20837 163.1
[M]- 252.20947 163.1
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.