CID 110711

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

Structural Information

Molecular Formula
C8H8O3
SMILES
C1C(OC2=CC=CC=C2O1)O
InChI
InChI=1S/C8H8O3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-4,8-9H,5H2
InChIKey
XPLAHBQULJNNLX-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

152.04735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.054626 125.8
[M+Na]+ 175.036568 133.7
[M-H]- 151.040074 130.4
[M+NH4]+ 170.081173 144.7
[M+K]+ 191.010508 134.3
[M+H-H2O]+ 135.044610 120.5
[M+HCOO]- 197.045551 145.1
[M+CH3COO]- 211.061201 171.2
[M+Na-2H]- 173.022016 136.6
[M]+ 152.04680142 125.5
[M]- 152.04789858 125.5
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