CID 20327956

Methyl 2-amino-4-hydroxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

167.05824 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 132.4
[M+Na]+ 190.047458 140.8
[M-H]- 166.050964 135.0
[M+NH4]+ 185.092063 152.0
[M+K]+ 206.021398 139.3
[M+H-H2O]+ 150.055500 126.9
[M+HCOO]- 212.056441 156.0
[M+CH3COO]- 226.072091 177.7
[M+Na-2H]- 188.032906 137.2
[M]+ 167.05769142 131.9
[M]- 167.05878858 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

No literature data available for this compound.

Patent stripe

patents stripe