CID 247753

2-hydroxy-4-(methylamino)benzoic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
CNC1=CC(=C(C=C1)C(=O)O)O
InChI
InChI=1S/C8H9NO3/c1-9-5-2-3-6(8(11)12)7(10)4-5/h2-4,9-10H,1H3,(H,11,12)
InChIKey
JKWLKTPTNVXUFK-UHFFFAOYSA-N
Compound name
2-hydroxy-4-(methylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

119
Patents

167.05824 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.2
[M+Na]+ 190.04746 140.0
[M-H]- 166.05096 133.8
[M+NH4]+ 185.09206 151.3
[M+K]+ 206.02140 138.0
[M+H-H2O]+ 150.05550 126.9
[M+HCOO]- 212.05644 154.9
[M+CH3COO]- 226.07209 176.5
[M+Na-2H]- 188.03291 137.5
[M]+ 167.05769 130.9
[M]- 167.05879 130.9
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