CID 12716709

53012-84-3

Structural Information

Molecular Formula
C11H12O5
SMILES
COC1=C(C=C(C(=C1)C=O)C(=O)OC)OC
InChI
InChI=1S/C11H12O5/c1-14-9-4-7(6-12)8(11(13)16-3)5-10(9)15-2/h4-6H,1-3H3
InChIKey
CVLAGCDYEQRBKO-UHFFFAOYSA-N
Compound name
methyl 2-formyl-4,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

224.06847 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07575 143.4
[M+Na]+ 247.05769 152.9
[M-H]- 223.06119 147.9
[M+NH4]+ 242.10229 162.3
[M+K]+ 263.03163 152.7
[M+H-H2O]+ 207.06573 137.5
[M+HCOO]- 269.06667 167.9
[M+CH3COO]- 283.08232 189.6
[M+Na-2H]- 245.04314 147.6
[M]+ 224.06792 150.5
[M]- 224.06902 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