CID 12575

3-hydroxy-4-methoxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

49
References

2398
Patents

168.04225 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 131.9
[M+Na]+ 191.03147 143.6
[M+NH4]+ 186.07607 138.9
[M+K]+ 207.00541 139.6
[M-H]- 167.03497 131.9
[M+Na-2H]- 189.01692 137.0
[M]+ 168.04170 133.3
[M]- 168.04280 133.3
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