CID 609819

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

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1=CC2=C(C=C1)C(=CC(=O)O2)CO
InChI
InChI=1S/C11H10O4/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5,12H,6H2,1H3
InChIKey
VWIUIZNOOWXYFW-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

206.0579 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 138.5
[M+Na]+ 229.047118 149.0
[M-H]- 205.050624 143.4
[M+NH4]+ 224.091723 157.2
[M+K]+ 245.021058 147.7
[M+H-H2O]+ 189.055160 132.7
[M+HCOO]- 251.056101 161.0
[M+CH3COO]- 265.071751 183.2
[M+Na-2H]- 227.032566 147.4
[M]+ 206.05735142 143.0
[M]- 206.05844858 143.0
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