CID 208304

5-(1,3-dioxolan-2-yl)-2-norbornen-7-one dimethyl acetal

Structural Information

Molecular Formula
C12H18O4
SMILES
COC1(C2CC(C1C=C2)C3OCCO3)OC
InChI
InChI=1S/C12H18O4/c1-13-12(14-2)8-3-4-10(12)9(7-8)11-15-5-6-16-11/h3-4,8-11H,5-7H2,1-2H3
InChIKey
RWDPSVIWBHLBRZ-UHFFFAOYSA-N
Compound name
2-(7,7-dimethoxy-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

226.12051 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12779 147.6
[M+Na]+ 249.10973 155.8
[M+NH4]+ 244.15433 157.7
[M+K]+ 265.08367 155.4
[M-H]- 225.11323 151.2
[M+Na-2H]- 247.09518 149.5
[M]+ 226.11996 149.8
[M]- 226.12106 149.8
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.