CID 208307

2-(2-dioxolanyl)-3-methyl-7,7-ethylenedioxy-5-norbornene

Structural Information

Molecular Formula
C13H18O4
SMILES
CC1C2C=CC(C1C3OCCO3)C24OCCO4
InChI
InChI=1S/C13H18O4/c1-8-9-2-3-10(13(9)16-6-7-17-13)11(8)12-14-4-5-15-12/h2-3,8-12H,4-7H2,1H3
InChIKey
IPEBMDNKZSEDKL-UHFFFAOYSA-N
Compound name
5'-(1,3-dioxolan-2-yl)-6'-methylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.1]hept-2-ene]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.12051 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.127786 150.1
[M+Na]+ 261.109728 156.7
[M-H]- 237.113234 161.3
[M+NH4]+ 256.154333 172.4
[M+K]+ 277.083668 159.3
[M+H-H2O]+ 221.117770 150.2
[M+HCOO]- 283.118711 167.2
[M+CH3COO]- 297.134361 163.8
[M+Na-2H]- 259.095176 151.4
[M]+ 238.11996142 151.8
[M]- 238.12105858 151.8
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

patents stripe