CID 4072341

Methyl 2-hydroxy-5-methoxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

364
Patents

182.0579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 134.6
[M+Na]+ 205.04712 143.4
[M-H]- 181.05062 137.7
[M+NH4]+ 200.09172 154.3
[M+K]+ 221.02106 142.7
[M+H-H2O]+ 165.05516 129.2
[M+HCOO]- 227.05610 157.8
[M+CH3COO]- 241.07175 178.5
[M+Na-2H]- 203.03257 139.8
[M]+ 182.05735 137.8
[M]- 182.05845 137.8
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