CID 81790

3,6-dioxabicyclo[6.3.1]dodeca-1(12),8,10-triene-2,7-dione

Structural Information

Molecular Formula
C10H8O4
SMILES
C1COC(=O)C2=CC=CC(=C2)C(=O)O1
InChI
InChI=1S/C10H8O4/c11-9-7-2-1-3-8(6-7)10(12)14-5-4-13-9/h1-3,6H,4-5H2
InChIKey
LZFNKJKBRGFWDU-UHFFFAOYSA-N
Compound name
3,6-dioxabicyclo[6.3.1]dodeca-1(12),8,10-triene-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7058
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 194.0
[M+Na]+ 215.031468 193.9
[M-H]- 191.034974 193.1
[M+NH4]+ 210.076073 193.4
[M+K]+ 231.005408 192.7
[M+H-H2O]+ 175.039510 184.6
[M+HCOO]- 237.040451 194.1
[M+CH3COO]- 251.056101 194.7
[M+Na-2H]- 213.016916 195.7
[M]+ 192.04170142 193.6
[M]- 192.04279858 193.6
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

No patent data available for this compound.