CID 3055702

2h-1-benzopyran-6-acetic acid, 3,4-dihydro-8-hydroxy-4-oxo-

Structural Information

Molecular Formula
C11H10O5
SMILES
C1COC2=C(C1=O)C=C(C=C2O)CC(=O)O
InChI
InChI=1S/C11H10O5/c12-8-1-2-16-11-7(8)3-6(4-9(11)13)5-10(14)15/h3-4,13H,1-2,5H2,(H,14,15)
InChIKey
NSEYWLYQYDHRJL-UHFFFAOYSA-N
Compound name
2-(8-hydroxy-4-oxo-2,3-dihydrochromen-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.05283 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.060106 143.0
[M+Na]+ 245.042048 150.9
[M-H]- 221.045554 145.8
[M+NH4]+ 240.086653 159.8
[M+K]+ 261.015988 149.6
[M+H-H2O]+ 205.050090 137.5
[M+HCOO]- 267.051031 160.4
[M+CH3COO]- 281.066681 183.9
[M+Na-2H]- 243.027496 148.4
[M]+ 222.05228142 143.0
[M]- 222.05337858 143.0
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.