CID 17823

3-amino-4-methoxybenzoic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
COC1=C(C=C(C=C1)C(=O)O)N
InChI
InChI=1S/C8H9NO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H,10,11)
InChIKey
FDGAEAYZQQCBRN-UHFFFAOYSA-N
Compound name
3-amino-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1176
Patents

167.05824 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.8
[M+Na]+ 190.04746 143.9
[M+NH4]+ 185.09206 140.1
[M+K]+ 206.02140 139.7
[M-H]- 166.05096 133.9
[M+Na-2H]- 188.03291 138.1
[M]+ 167.05769 134.4
[M]- 167.05879 134.4
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