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]+ 223.06011 143.0
[M+Na]+ 245.04205 150.9
[M-H]- 221.04555 145.8
[M+NH4]+ 240.08665 159.8
[M+K]+ 261.01599 149.6
[M+H-H2O]+ 205.05009 137.5
[M+HCOO]- 267.05103 160.4
[M+CH3COO]- 281.06668 183.9
[M+Na-2H]- 243.02750 148.4
[M]+ 222.05228 143.0
[M]- 222.05338 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.