CID 1517488

3,4-diacetoxybenzaldehyde

Structural Information

Molecular Formula
C11H10O5
SMILES
CC(=O)OC1=C(C=C(C=C1)C=O)OC(=O)C
InChI
InChI=1S/C11H10O5/c1-7(13)15-10-4-3-9(6-12)5-11(10)16-8(2)14/h3-6H,1-2H3
InChIKey
WYHMNJKAVNPOOR-UHFFFAOYSA-N
Compound name
(2-acetyloxy-4-formylphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

222.05283 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06011 142.9
[M+Na]+ 245.04205 151.6
[M-H]- 221.04555 147.2
[M+NH4]+ 240.08665 161.5
[M+K]+ 261.01599 151.2
[M+H-H2O]+ 205.05009 137.0
[M+HCOO]- 267.05103 166.7
[M+CH3COO]- 281.06668 187.7
[M+Na-2H]- 243.02750 146.6
[M]+ 222.05228 148.2
[M]- 222.05338 148.2
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

No patent data available for this compound.