CID 688335

Methyl 2-formyl-3,5-dimethoxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
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 146.1
[M+Na]+ 247.05769 158.2
[M+NH4]+ 242.10229 152.4
[M+K]+ 263.03163 153.6
[M-H]- 223.06119 146.3
[M+Na-2H]- 245.04314 150.9
[M]+ 224.06792 147.7
[M]- 224.06902 147.7
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