CID 5319726

Methyl 3,5-dihydroxy-4-methoxybenzoate

Structural Information

Molecular Formula
C9H10O5
SMILES
COC1=C(C=C(C=C1O)C(=O)OC)O
InChI
InChI=1S/C9H10O5/c1-13-8-6(10)3-5(4-7(8)11)9(12)14-2/h3-4,10-11H,1-2H3
InChIKey
SUGIJIFASYORQN-UHFFFAOYSA-N
Compound name
methyl 3,5-dihydroxy-4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

51
Patents

198.05283 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe