CID 353501

Nsc601986

Structural Information

Molecular Formula
C13H8O6
SMILES
C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)OCC(=O)O
InChI
InChI=1S/C13H8O6/c14-9(15)6-18-13-11-8(3-4-17-11)5-7-1-2-10(16)19-12(7)13/h1-5H,6H2,(H,14,15)
InChIKey
VTIPSNMJULYGDJ-UHFFFAOYSA-N
Compound name
2-(7-oxofuro[3,2-g]chromen-9-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

260.03207 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03935 148.8
[M+Na]+ 283.02129 160.4
[M-H]- 259.02479 155.8
[M+NH4]+ 278.06589 166.4
[M+K]+ 298.99523 160.1
[M+H-H2O]+ 243.02933 143.5
[M+HCOO]- 305.03027 171.1
[M+CH3COO]- 319.04592 191.7
[M+Na-2H]- 281.00674 157.6
[M]+ 260.03152 157.2
[M]- 260.03262 157.2
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.