CID 4413713

Methyl 2,4-dihydroxy-3-formylbenzoate

Structural Information

Molecular Formula
C9H8O5
SMILES
COC(=O)C1=C(C(=C(C=C1)O)C=O)O
InChI
InChI=1S/C9H8O5/c1-14-9(13)5-2-3-7(11)6(4-10)8(5)12/h2-4,11-12H,1H3
InChIKey
YYUAKVMGFMRTGB-UHFFFAOYSA-N
Compound name
methyl 3-formyl-2,4-dihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

196.03717 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04445 138.5
[M+Na]+ 219.02639 149.9
[M+NH4]+ 214.07099 144.5
[M+K]+ 235.00033 146.3
[M-H]- 195.02989 137.7
[M+Na-2H]- 217.01184 142.5
[M]+ 196.03662 139.6
[M]- 196.03772 139.6
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

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