CID 208305

31969-68-3

Structural Information

Molecular Formula
C13H20O4
SMILES
CC1(CC2C=CC1C2(OC)OC)C3OCCO3
InChI
InChI=1S/C13H20O4/c1-12(11-16-6-7-17-11)8-9-4-5-10(12)13(9,14-2)15-3/h4-5,9-11H,6-8H2,1-3H3
InChIKey
RECSUIPCDMEEJH-UHFFFAOYSA-N
Compound name
2-(7,7-dimethoxy-2-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.13615 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.14343 151.3
[M+Na]+ 263.12537 159.4
[M-H]- 239.12887 158.9
[M+NH4]+ 258.16997 177.0
[M+K]+ 279.09931 160.2
[M+H-H2O]+ 223.13341 149.4
[M+HCOO]- 285.13435 171.0
[M+CH3COO]- 299.15000 189.9
[M+Na-2H]- 261.11082 155.6
[M]+ 240.13560 155.9
[M]- 240.13670 155.9
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

patents stripe