CID 4056967

Methyl 3-hydroxy-4-methoxybenzoate

Structural Information

Molecular Formula
C9H10O4
SMILES
COC1=C(C=C(C=C1)C(=O)OC)O
InChI
InChI=1S/C9H10O4/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5,10H,1-2H3
InChIKey
QXOXUEFXRSIYSW-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

668
Patents

182.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 136.0
[M+Na]+ 205.04712 148.0
[M+NH4]+ 200.09172 143.2
[M+K]+ 221.02106 143.5
[M-H]- 181.05062 136.5
[M+Na-2H]- 203.03257 141.4
[M]+ 182.05735 137.6
[M]- 182.05845 137.6
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