CID 529898

3-(4-hydroxy-3,5-dimethoxyphenyl)propanal

Structural Information

Molecular Formula
C11H14O4
SMILES
COC1=CC(=CC(=C1O)OC)CCC=O
InChI
InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h5-7,13H,3-4H2,1-2H3
InChIKey
DPEYEJOFAHQWJI-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-3,5-dimethoxyphenyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

210.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 142.9
[M+Na]+ 233.07842 151.9
[M-H]- 209.08192 145.8
[M+NH4]+ 228.12302 161.7
[M+K]+ 249.05236 150.3
[M+H-H2O]+ 193.08646 137.2
[M+HCOO]- 255.08740 166.4
[M+CH3COO]- 269.10305 185.5
[M+Na-2H]- 231.06387 147.6
[M]+ 210.08865 148.0
[M]- 210.08975 148.0
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