CID 214454

Brn 1243698

Structural Information

Molecular Formula
C10H8O4
SMILES
CC1=CC2=C(C(=O)C=C(O2)C)C(=O)O1
InChI
InChI=1S/C10H8O4/c1-5-3-7(11)9-8(13-5)4-6(2)14-10(9)12/h3-4H,1-2H3
InChIKey
NXSCNNLAQFXKTJ-UHFFFAOYSA-N
Compound name
2,7-dimethylpyrano[3,2-c]pyran-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04225 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 132.4
[M+Na]+ 215.03147 145.3
[M-H]- 191.03497 140.1
[M+NH4]+ 210.07607 151.4
[M+K]+ 231.00541 145.5
[M+H-H2O]+ 175.03951 127.0
[M+HCOO]- 237.04045 156.0
[M+CH3COO]- 251.05610 183.5
[M+Na-2H]- 213.01692 142.5
[M]+ 192.04170 138.8
[M]- 192.04280 138.8
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

No patent data available for this compound.