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]+ 259.09648 155.6
[M+Na]+ 281.07842 163.6
[M-H]- 257.08192 163.5
[M+NH4]+ 276.12302 170.2
[M+K]+ 297.05236 162.8
[M+H-H2O]+ 241.08646 148.1
[M+HCOO]- 303.08740 174.1
[M+CH3COO]- 317.10305 168.1
[M+Na-2H]- 279.06387 163.3
[M]+ 258.08865 157.3
[M]- 258.08975 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.