CID 70140

3-methoxysalicylic acid

Structural Information

Molecular Formula
C8H8O4
SMILES
COC1=CC=CC(=C1O)C(=O)O
InChI
InChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey
AUZQQIPZESHNMG-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

3955
Patents

168.04225 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.049526 130.6
[M+Na]+ 191.031468 139.2
[M-H]- 167.034974 132.3
[M+NH4]+ 186.076073 150.0
[M+K]+ 207.005408 137.9
[M+H-H2O]+ 151.039510 125.6
[M+HCOO]- 213.040451 152.6
[M+CH3COO]- 227.056101 173.6
[M+Na-2H]- 189.016916 135.8
[M]+ 168.04170142 131.6
[M]- 168.04279858 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