CID 15066111

Hv7t7wgs3q

Structural Information

Molecular Formula
C10H8O4
SMILES
C1COC(=O)C2=CC=C(C=C2)C(=O)O1
InChI
InChI=1S/C10H8O4/c11-9-7-1-2-8(4-3-7)10(12)14-6-5-13-9/h1-4H,5-6H2
InChIKey
MMINFSMURORWKH-UHFFFAOYSA-N
Compound name
3,6-dioxabicyclo[6.2.2]dodeca-1(10),8,11-triene-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

71079
Patents

192.04225 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 140.1
[M+Na]+ 215.031468 146.2
[M-H]- 191.034974 129.7
[M+NH4]+ 210.076073 158.0
[M+K]+ 231.005408 149.4
[M+H-H2O]+ 175.039510 142.4
[M+HCOO]- 237.040451 150.0
[M+CH3COO]- 251.056101 149.6
[M+Na-2H]- 213.016916 154.1
[M]+ 192.04170142 144.2
[M]- 192.04279858 144.2
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