CID 19905797

7-hydroxy-4-(hydroxymethyl)-2h-chromen-2-one

Structural Information

Molecular Formula
C10H8O4
SMILES
C1=CC2=C(C=C1O)OC(=O)C=C2CO
InChI
InChI=1S/C10H8O4/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4,11-12H,5H2
InChIKey
IWPNSXBCZANXBC-UHFFFAOYSA-N
Compound name
7-hydroxy-4-(hydroxymethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

44
Patents

192.04225 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 135.4
[M+Na]+ 215.03147 149.8
[M+NH4]+ 210.07607 143.5
[M+K]+ 231.00541 144.4
[M-H]- 191.03497 138.2
[M+Na-2H]- 213.01692 141.3
[M]+ 192.04170 138.2
[M]- 192.04280 138.2
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