CID 106947

2-(2,4-dimethyl-3-cyclohexen-1-yl)-1,3-dioxolane

Structural Information

Molecular Formula
C11H18O2
SMILES
CC1C=C(CCC1C2OCCO2)C
InChI
InChI=1S/C11H18O2/c1-8-3-4-10(9(2)7-8)11-12-5-6-13-11/h7,9-11H,3-6H2,1-2H3
InChIKey
GAARSHDEYZGKOY-UHFFFAOYSA-N
Compound name
2-(2,4-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

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 140.7
[M+Na]+ 205.11990 146.5
[M-H]- 181.12340 148.1
[M+NH4]+ 200.16450 159.9
[M+K]+ 221.09384 147.2
[M+H-H2O]+ 165.12794 135.4
[M+HCOO]- 227.12888 159.7
[M+CH3COO]- 241.14453 180.8
[M+Na-2H]- 203.10535 144.4
[M]+ 182.13013 138.7
[M]- 182.13123 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.