CID 64809

2669-94-5

Structural Information

Molecular Formula
C9H8O3
SMILES
C1CC(=O)OC2=C1C=C(C=C2)O
InChI
InChI=1S/C9H8O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5,10H,1,4H2
InChIKey
ZCNZNVIRVHJXKV-UHFFFAOYSA-N
Compound name
6-hydroxy-3,4-dihydrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

51
Patents

164.04735 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.054626 128.6
[M+Na]+ 187.036568 137.2
[M-H]- 163.040074 132.8
[M+NH4]+ 182.081173 148.6
[M+K]+ 203.010508 136.1
[M+H-H2O]+ 147.044610 123.4
[M+HCOO]- 209.045551 148.7
[M+CH3COO]- 223.061201 174.4
[M+Na-2H]- 185.022016 137.4
[M]+ 164.04680142 127.7
[M]- 164.04789858 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