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

27
Patents

224.10486 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 146.8
[M+Na]+ 247.09408 155.8
[M-H]- 223.09758 150.9
[M+NH4]+ 242.13868 165.8
[M+K]+ 263.06802 154.8
[M+H-H2O]+ 207.10212 140.7
[M+HCOO]- 269.10306 171.5
[M+CH3COO]- 283.11871 191.1
[M+Na-2H]- 245.07953 151.5
[M]+ 224.10431 154.1
[M]- 224.10541 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