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]+ 253.21620 158.3
[M+Na]+ 275.19814 164.8
[M-H]- 251.20164 165.9
[M+NH4]+ 270.24274 179.1
[M+K]+ 291.17208 164.9
[M+H-H2O]+ 235.20618 153.9
[M+HCOO]- 297.20712 175.6
[M+CH3COO]- 311.22277 196.3
[M+Na-2H]- 273.18359 161.4
[M]+ 252.20837 159.2
[M]- 252.20947 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.