CID 656880

156605-24-2

Structural Information

Molecular Formula
C11H10O5
SMILES
C1=CC(=CC2=C1C=CC(O2)(C(=O)O)O)CO
InChI
InChI=1S/C11H10O5/c12-6-7-1-2-8-3-4-11(15,10(13)14)16-9(8)5-7/h1-5,12,15H,6H2,(H,13,14)
InChIKey
RAPNWMUVBAAVEA-UHFFFAOYSA-N
Compound name
2-hydroxy-7-(hydroxymethyl)chromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

222.05283 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06011 144.3
[M+Na]+ 245.04205 152.6
[M-H]- 221.04555 146.1
[M+NH4]+ 240.08665 162.3
[M+K]+ 261.01599 151.1
[M+H-H2O]+ 205.05009 139.4
[M+HCOO]- 267.05103 161.4
[M+CH3COO]- 281.06668 180.3
[M+Na-2H]- 243.02750 152.0
[M]+ 222.05228 144.6
[M]- 222.05338 144.6
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

patents stripe