CID 11286650

74736-89-3

Structural Information

Molecular Formula
C9H8O3
SMILES
C1C(C(=O)C2=CC=CC=C2O1)O
InChI
InChI=1S/C9H8O3/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,7,10H,5H2
InChIKey
HWDVENVZFGMCRE-UHFFFAOYSA-N
Compound name
3-hydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

164.04735 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05463 128.6
[M+Na]+ 187.03657 137.2
[M-H]- 163.04007 132.8
[M+NH4]+ 182.08117 148.6
[M+K]+ 203.01051 136.1
[M+H-H2O]+ 147.04461 123.4
[M+HCOO]- 209.04555 148.7
[M+CH3COO]- 223.06120 174.4
[M+Na-2H]- 185.02202 137.4
[M]+ 164.04680 127.7
[M]- 164.04790 127.7
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