CID 19807028

2-amino-5-hydroxy-4-methoxybenzoic acid

Structural Information

Molecular Formula
C8H9NO4
SMILES
COC1=C(C=C(C(=C1)N)C(=O)O)O
InChI
InChI=1S/C8H9NO4/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3,10H,9H2,1H3,(H,11,12)
InChIKey
UDLWJRJHSHVPGS-UHFFFAOYSA-N
Compound name
2-amino-5-hydroxy-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

183.05316 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 135.2
[M+Na]+ 206.04238 143.8
[M-H]- 182.04588 136.6
[M+NH4]+ 201.08698 153.5
[M+K]+ 222.01632 142.1
[M+H-H2O]+ 166.05042 129.8
[M+HCOO]- 228.05136 157.4
[M+CH3COO]- 242.06701 179.5
[M+Na-2H]- 204.02783 138.7
[M]+ 183.05261 134.8
[M]- 183.05371 134.8
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