CID 141513

3,4-dimethoxy-5-hydroxybenzaldehyde

Structural Information

Molecular Formula
C9H10O4
SMILES
COC1=CC(=CC(=C1OC)O)C=O
InChI
InChI=1S/C9H10O4/c1-12-8-4-6(5-10)3-7(11)9(8)13-2/h3-5,11H,1-2H3
InChIKey
NVLTWXMZECWWPC-UHFFFAOYSA-N
Compound name
3-hydroxy-4,5-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

182.0579 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 133.5
[M+Na]+ 205.04712 143.4
[M-H]- 181.05062 136.8
[M+NH4]+ 200.09172 153.5
[M+K]+ 221.02106 142.2
[M+H-H2O]+ 165.05516 128.3
[M+HCOO]- 227.05610 157.7
[M+CH3COO]- 241.07175 179.5
[M+Na-2H]- 203.03257 139.3
[M]+ 182.05735 137.8
[M]- 182.05845 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