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

2
Patents

240.13615 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.143426 151.3
[M+Na]+ 263.125368 159.4
[M-H]- 239.128874 158.9
[M+NH4]+ 258.169973 177.0
[M+K]+ 279.099308 160.2
[M+H-H2O]+ 223.133410 149.4
[M+HCOO]- 285.134351 171.0
[M+CH3COO]- 299.150001 189.9
[M+Na-2H]- 261.110816 155.6
[M]+ 240.13560142 155.9
[M]- 240.13669858 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