CID 4771124

3,5-dimethoxy-4-propoxybenzaldehyde

Structural Information

Molecular Formula
C12H16O4
SMILES
CCCOC1=C(C=C(C=C1OC)C=O)OC
InChI
InChI=1S/C12H16O4/c1-4-5-16-12-10(14-2)6-9(8-13)7-11(12)15-3/h6-8H,4-5H2,1-3H3
InChIKey
VIZFOCNGDABISZ-UHFFFAOYSA-N
Compound name
3,5-dimethoxy-4-propoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

224.10486 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 146.8
[M+Na]+ 247.094078 155.8
[M-H]- 223.097584 150.9
[M+NH4]+ 242.138683 165.8
[M+K]+ 263.068018 154.8
[M+H-H2O]+ 207.102120 140.7
[M+HCOO]- 269.103061 171.5
[M+CH3COO]- 283.118711 191.1
[M+Na-2H]- 245.079526 151.5
[M]+ 224.10431142 154.1
[M]- 224.10540858 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe