CID 87999

2-hydroxy-3,4-dimethoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

148
Patents

182.0579 Da
Monoisotopic Mass

1.3
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