CID 529894

2,6-dimethoxy-4-hydroxybenzaldehyde

Structural Information

Molecular Formula
C9H10O4
SMILES
COC1=CC(=CC(=C1C=O)OC)O
InChI
InChI=1S/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H3
InChIKey
HZWPJAZIRZFCGX-UHFFFAOYSA-N
Compound name
4-hydroxy-2,6-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1036
Patents

182.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.065176 133.5
[M+Na]+ 205.047118 143.4
[M-H]- 181.050624 136.8
[M+NH4]+ 200.091723 153.5
[M+K]+ 221.021058 142.2
[M+H-H2O]+ 165.055160 128.3
[M+HCOO]- 227.056101 157.7
[M+CH3COO]- 241.071751 179.5
[M+Na-2H]- 203.032566 139.3
[M]+ 182.05735142 137.8
[M]- 182.05844858 137.8
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