CID 355632

Nsc609650

Structural Information

Molecular Formula
C13H8O4
SMILES
CC1=CC(=O)OC2=C1C=CC3=C2C(=O)C=CO3
InChI
InChI=1S/C13H8O4/c1-7-6-11(15)17-13-8(7)2-3-10-12(13)9(14)4-5-16-10/h2-6H,1H3
InChIKey
MKJREJOQWDFPLZ-UHFFFAOYSA-N
Compound name
4-methylpyrano[2,3-f]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.04225 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04953 141.6
[M+Na]+ 251.03147 155.5
[M-H]- 227.03497 150.4
[M+NH4]+ 246.07607 160.0
[M+K]+ 267.00541 154.4
[M+H-H2O]+ 211.03951 135.1
[M+HCOO]- 273.04045 165.3
[M+CH3COO]- 287.05610 157.5
[M+Na-2H]- 249.01692 153.8
[M]+ 228.04170 149.1
[M]- 228.04280 149.1
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.