CID 208302

31969-65-0

Structural Information

Molecular Formula
C13H20O4
SMILES
CC1C2C=CC(C1C3OCCO3)C2(OC)OC
InChI
InChI=1S/C13H20O4/c1-8-9-4-5-10(13(9,14-2)15-3)11(8)12-16-6-7-17-12/h4-5,8-12H,6-7H2,1-3H3
InChIKey
GIENTCXBWZBPMB-UHFFFAOYSA-N
Compound name
2-(7,7-dimethoxy-3-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 152.6
[M+Na]+ 263.12537 160.5
[M-H]- 239.12887 160.3
[M+NH4]+ 258.16997 176.6
[M+K]+ 279.09931 161.3
[M+H-H2O]+ 223.13341 150.5
[M+HCOO]- 285.13435 172.2
[M+CH3COO]- 299.15000 191.4
[M+Na-2H]- 261.11082 155.0
[M]+ 240.13560 157.2
[M]- 240.13670 157.2
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