CID 135127

Methyl 5-amino-2-hydroxybenzoate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

2
References

519
Patents

167.05824 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.4
[M+Na]+ 190.04746 140.8
[M-H]- 166.05096 135.0
[M+NH4]+ 185.09206 152.0
[M+K]+ 206.02140 139.3
[M+H-H2O]+ 150.05550 126.9
[M+HCOO]- 212.05644 156.0
[M+CH3COO]- 226.07209 177.7
[M+Na-2H]- 188.03291 137.2
[M]+ 167.05769 131.9
[M]- 167.05879 131.9
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