CID 75231

4-methoxysalicylic acid

Structural Information

Molecular Formula
C8H8O4
SMILES
COC1=CC(=C(C=C1)C(=O)O)O
InChI
InChI=1S/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
InChIKey
MRIXVKKOHPQOFK-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

26
References

3762
Patents

168.04225 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 130.6
[M+Na]+ 191.03147 139.2
[M-H]- 167.03497 132.3
[M+NH4]+ 186.07607 150.0
[M+K]+ 207.00541 137.9
[M+H-H2O]+ 151.03951 125.6
[M+HCOO]- 213.04045 152.6
[M+CH3COO]- 227.05610 173.6
[M+Na-2H]- 189.01692 135.8
[M]+ 168.04170 131.6
[M]- 168.04280 131.6
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