CID 7020619

Methyl 4-amino-3-hydroxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1044
Patents

167.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 133.0
[M+Na]+ 190.04746 144.1
[M+NH4]+ 185.09206 140.2
[M+K]+ 206.02140 139.9
[M-H]- 166.05096 134.1
[M+Na-2H]- 188.03291 138.3
[M]+ 167.05769 134.6
[M]- 167.05879 134.6
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