CID 82520

2,3-dihydro-1,4-benzodioxin-5-ol

Structural Information

Molecular Formula
C8H8O3
SMILES
C1COC2=C(C=CC=C2O1)O
InChI
InChI=1S/C8H8O3/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,9H,4-5H2
InChIKey
IGXSSRPZRAIXQF-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

871
Patents

152.04735 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 126.7
[M+Na]+ 175.03657 140.3
[M+NH4]+ 170.08117 136.1
[M+K]+ 191.01051 134.9
[M-H]- 151.04007 131.7
[M+Na-2H]- 173.02202 132.5
[M]+ 152.04680 130.1
[M]- 152.04790 130.1
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

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