CID 3759165

85098-80-2

Structural Information

Molecular Formula
C11H18O2
SMILES
CC1CC(=CCC1C2OCCO2)C
InChI
InChI=1S/C11H18O2/c1-8-3-4-10(9(2)7-8)11-12-5-6-13-11/h3,9-11H,4-7H2,1-2H3
InChIKey
BXFGKPXLIYETAH-UHFFFAOYSA-N
Compound name
2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 140.7
[M+Na]+ 205.119898 146.5
[M-H]- 181.123404 148.1
[M+NH4]+ 200.164503 159.9
[M+K]+ 221.093838 147.2
[M+H-H2O]+ 165.127940 135.4
[M+HCOO]- 227.128881 159.7
[M+CH3COO]- 241.144531 180.8
[M+Na-2H]- 203.105346 144.4
[M]+ 182.13013142 138.7
[M]- 182.13122858 138.7
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.