CID 122570

3-hydroxy-2,4-dimethoxybenzaldehyde

Structural Information

Molecular Formula
C9H10O4
SMILES
COC1=C(C(=C(C=C1)C=O)OC)O
InChI
InChI=1S/C9H10O4/c1-12-7-4-3-6(5-10)9(13-2)8(7)11/h3-5,11H,1-2H3
InChIKey
COBXDAOIDYGHGK-UHFFFAOYSA-N
Compound name
3-hydroxy-2,4-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4836
Patents

182.0579 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 135.4
[M+Na]+ 205.04712 148.2
[M+NH4]+ 200.09172 142.7
[M+K]+ 221.02106 143.0
[M-H]- 181.05062 136.2
[M+Na-2H]- 203.03257 141.0
[M]+ 182.05735 137.3
[M]- 182.05845 137.3
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