CID 688189

4-acetoxy-3,5-dimethoxybenzaldehyde

Structural Information

Molecular Formula
C11H12O5
SMILES
CC(=O)OC1=C(C=C(C=C1OC)C=O)OC
InChI
InChI=1S/C11H12O5/c1-7(13)16-11-9(14-2)4-8(6-12)5-10(11)15-3/h4-6H,1-3H3
InChIKey
CSWKYHGBYCNZAS-UHFFFAOYSA-N
Compound name
(4-formyl-2,6-dimethoxyphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

224.06847 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.075746 143.4
[M+Na]+ 247.057688 152.9
[M-H]- 223.061194 147.9
[M+NH4]+ 242.102293 162.3
[M+K]+ 263.031628 152.7
[M+H-H2O]+ 207.065730 137.5
[M+HCOO]- 269.066671 167.9
[M+CH3COO]- 283.082321 189.6
[M+Na-2H]- 245.043136 147.6
[M]+ 224.06792142 150.5
[M]- 224.06901858 150.5
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