CID 5203038

Methyl 2,5-dihydroxy-4-methoxybenzoate

Structural Information

Molecular Formula
C9H10O5
SMILES
COC1=C(C=C(C(=C1)O)C(=O)OC)O
InChI
InChI=1S/C9H10O5/c1-13-8-4-6(10)5(3-7(8)11)9(12)14-2/h3-4,10-11H,1-2H3
InChIKey
QPFXZHDNFHBICB-UHFFFAOYSA-N
Compound name
methyl 2,5-dihydroxy-4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

198.05283 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.060106 137.4
[M+Na]+ 221.042048 146.5
[M-H]- 197.045554 139.4
[M+NH4]+ 216.086653 155.9
[M+K]+ 237.015988 145.6
[M+H-H2O]+ 181.050090 132.2
[M+HCOO]- 243.051031 159.3
[M+CH3COO]- 257.066681 179.4
[M+Na-2H]- 219.027496 141.5
[M]+ 198.05228142 140.6
[M]- 198.05337858 140.6
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

patents stripe