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

0
Patents

238.12051 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12779 150.1
[M+Na]+ 261.10973 156.7
[M-H]- 237.11323 161.3
[M+NH4]+ 256.15433 172.4
[M+K]+ 277.08367 159.3
[M+H-H2O]+ 221.11777 150.2
[M+HCOO]- 283.11871 167.2
[M+CH3COO]- 297.13436 163.8
[M+Na-2H]- 259.09518 151.4
[M]+ 238.11996 151.8
[M]- 238.12106 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