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

45
Patents

192.04225 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 134.3
[M+Na]+ 215.031468 144.9
[M-H]- 191.034974 138.1
[M+NH4]+ 210.076073 152.9
[M+K]+ 231.005408 142.9
[M+H-H2O]+ 175.039510 129.1
[M+HCOO]- 237.040451 155.7
[M+CH3COO]- 251.056101 177.8
[M+Na-2H]- 213.016916 143.3
[M]+ 192.04170142 136.7
[M]- 192.04279858 136.7
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