CID 2888241

35679-93-7

Structural Information

Molecular Formula
C13H12O5
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)O)C
InChI
InChI=1S/C13H12O5/c1-7-8(2)13(16)18-11-5-9(3-4-10(7)11)17-6-12(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKey
JMGNOTZDXBJUJC-UHFFFAOYSA-N
Compound name
2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.06847 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07575 149.3
[M+Na]+ 271.05769 159.7
[M-H]- 247.06119 154.3
[M+NH4]+ 266.10229 166.3
[M+K]+ 287.03163 158.5
[M+H-H2O]+ 231.06573 143.2
[M+HCOO]- 293.06667 170.4
[M+CH3COO]- 307.08232 193.0
[M+Na-2H]- 269.04314 155.3
[M]+ 248.06792 155.1
[M]- 248.06902 155.1
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

No patent data available for this compound.