CID 78122

4405-18-9

Structural Information

Molecular Formula
C10H10O4
SMILES
C1COC(O1)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C10H10O4/c1-2-8-9(14-6-13-8)5-7(1)10-11-3-4-12-10/h1-2,5,10H,3-4,6H2
InChIKey
VKRLFWZYZOPSHP-UHFFFAOYSA-N
Compound name
5-(1,3-dioxolan-2-yl)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

194.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 136.3
[M+Na]+ 217.047118 144.0
[M-H]- 193.050624 146.2
[M+NH4]+ 212.091723 154.6
[M+K]+ 233.021058 147.1
[M+H-H2O]+ 177.055160 133.0
[M+HCOO]- 239.056101 156.0
[M+CH3COO]- 253.071751 150.9
[M+Na-2H]- 215.032566 143.6
[M]+ 194.05735142 138.7
[M]- 194.05844858 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe