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

37
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

No literature data available for this compound.

Patent stripe

patents stripe