CID 146487

19492-03-6

Structural Information

Molecular Formula
C10H8O4
SMILES
COC1=C(C2=C(C=C1)C=CC(=O)O2)O
InChI
InChI=1S/C10H8O4/c1-13-7-4-2-6-3-5-8(11)14-10(6)9(7)12/h2-5,12H,1H3
InChIKey
KIGCGZUAVODHMD-UHFFFAOYSA-N
Compound name
8-hydroxy-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

30
Patents

192.04225 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 133.6
[M+Na]+ 215.03147 144.7
[M-H]- 191.03497 138.8
[M+NH4]+ 210.07607 152.9
[M+K]+ 231.00541 143.6
[M+H-H2O]+ 175.03951 128.1
[M+HCOO]- 237.04045 156.5
[M+CH3COO]- 251.05610 180.2
[M+Na-2H]- 213.01692 143.1
[M]+ 192.04170 137.8
[M]- 192.04280 137.8
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