CID 71588324

6-(dihydroxymethyl)chromen-2-one

Structural Information

Molecular Formula
C10H8O4
SMILES
C1=CC2=C(C=CC(=O)O2)C=C1C(O)O
InChI
InChI=1S/C10H8O4/c11-9-4-2-6-5-7(10(12)13)1-3-8(6)14-9/h1-5,10,12-13H
InChIKey
QEACLKBGGYVMCN-UHFFFAOYSA-N
Compound name
6-(dihydroxymethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04225 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 134.8
[M+Na]+ 215.03147 144.1
[M-H]- 191.03497 138.2
[M+NH4]+ 210.07607 152.9
[M+K]+ 231.00541 142.6
[M+H-H2O]+ 175.03951 129.4
[M+HCOO]- 237.04045 155.1
[M+CH3COO]- 251.05610 177.5
[M+Na-2H]- 213.01692 143.2
[M]+ 192.04170 136.1
[M]- 192.04280 136.1
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.