CID 3063082

5-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-methoxyphenol

Structural Information

Molecular Formula
C15H14O4
SMILES
COC1=C(C=C(C=C1)C2COC3=CC=CC=C3O2)O
InChI
InChI=1S/C15H14O4/c1-17-12-7-6-10(8-11(12)16)15-9-18-13-4-2-3-5-14(13)19-15/h2-8,15-16H,9H2,1H3
InChIKey
OBZRQUBQVYFPPH-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.096476 155.6
[M+Na]+ 281.078418 163.6
[M-H]- 257.081924 163.5
[M+NH4]+ 276.123023 170.2
[M+K]+ 297.052358 162.8
[M+H-H2O]+ 241.086460 148.1
[M+HCOO]- 303.087401 174.1
[M+CH3COO]- 317.103051 168.1
[M+Na-2H]- 279.063866 163.3
[M]+ 258.08865142 157.3
[M]- 258.08974858 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.