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

18
Patents

198.05283 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06011 137.4
[M+Na]+ 221.04205 146.5
[M-H]- 197.04555 139.4
[M+NH4]+ 216.08665 155.9
[M+K]+ 237.01599 145.6
[M+H-H2O]+ 181.05009 132.2
[M+HCOO]- 243.05103 159.3
[M+CH3COO]- 257.06668 179.4
[M+Na-2H]- 219.02750 141.5
[M]+ 198.05228 140.6
[M]- 198.05338 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