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]+ 193.049526 134.8
[M+Na]+ 215.031468 144.1
[M-H]- 191.034974 138.2
[M+NH4]+ 210.076073 152.9
[M+K]+ 231.005408 142.6
[M+H-H2O]+ 175.039510 129.4
[M+HCOO]- 237.040451 155.1
[M+CH3COO]- 251.056101 177.5
[M+Na-2H]- 213.016916 143.2
[M]+ 192.04170142 136.1
[M]- 192.04279858 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.