CID 2735357

2-amino-6-methoxybenzoic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
COC1=CC=CC(=C1C(=O)O)N
InChI
InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKey
DYZDIWNRWSNVPT-UHFFFAOYSA-N
Compound name
2-amino-6-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

687
Patents

167.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.1
[M+Na]+ 190.04746 140.4
[M-H]- 166.05096 134.7
[M+NH4]+ 185.09206 151.7
[M+K]+ 206.02140 138.9
[M+H-H2O]+ 150.05550 126.6
[M+HCOO]- 212.05644 155.8
[M+CH3COO]- 226.07209 178.4
[M+Na-2H]- 188.03291 136.9
[M]+ 167.05769 131.8
[M]- 167.05879 131.8
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