CID 11971372

Einecs 305-161-3

Structural Information

Molecular Formula
C17H28O2
SMILES
CC1COC(O1)(C)/C(=C/C2C(=CCCC2(C)C)C)/C
InChI
InChI=1S/C17H28O2/c1-12-8-7-9-16(4,5)15(12)10-13(2)17(6)18-11-14(3)19-17/h8,10,14-15H,7,9,11H2,1-6H3/b13-10+
InChIKey
OLJZZCKBGUFAEV-JLHYYAGUSA-N
Compound name
2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.216196 161.8
[M+Na]+ 287.198138 168.1
[M-H]- 263.201644 169.5
[M+NH4]+ 282.242743 182.1
[M+K]+ 303.172078 167.8
[M+H-H2O]+ 247.206180 157.7
[M+HCOO]- 309.207121 178.0
[M+CH3COO]- 323.222771 198.7
[M+Na-2H]- 285.183586 163.3
[M]+ 264.20837142 161.7
[M]- 264.20946858 161.7
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.