CID 130120618

1823935-63-2

Structural Information

Molecular Formula
C9H8O3
SMILES
C1COC(=O)C2=C1C(=CC=C2)O
InChI
InChI=1S/C9H8O3/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-3,10H,4-5H2
InChIKey
SPECEMYLVDJKPE-UHFFFAOYSA-N
Compound name
5-hydroxy-3,4-dihydroisochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.04735 Da
Monoisotopic Mass

1.5
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

No patent data available for this compound.