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 148.3
[M+Na]+ 249.10973 155.8
[M-H]- 225.11323 155.8
[M+NH4]+ 244.15433 172.6
[M+K]+ 265.08367 156.9
[M+H-H2O]+ 209.11777 146.0
[M+HCOO]- 271.11871 168.4
[M+CH3COO]- 285.13436 187.3
[M+Na-2H]- 247.09518 151.8
[M]+ 226.11996 152.2
[M]- 226.12106 152.2
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