CID 16251

3,4-dimethoxyphenol

Structural Information

Molecular Formula
C8H10O3
SMILES
COC1=C(C=C(C=C1)O)OC
InChI
InChI=1S/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3
InChIKey
SMFFZOQLHYIRDA-UHFFFAOYSA-N
Compound name
3,4-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

169
References

3244
Patents

154.06299 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 128.8
[M+Na]+ 177.05221 141.8
[M+NH4]+ 172.09681 137.2
[M+K]+ 193.02615 136.3
[M-H]- 153.05571 130.3
[M+Na-2H]- 175.03766 135.5
[M]+ 154.06244 131.0
[M]- 154.06354 131.0
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