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

140
Patents

183.05316 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.060436 135.2
[M+Na]+ 206.042378 143.8
[M-H]- 182.045884 136.6
[M+NH4]+ 201.086983 153.5
[M+K]+ 222.016318 142.1
[M+H-H2O]+ 166.050420 129.8
[M+HCOO]- 228.051361 157.4
[M+CH3COO]- 242.067011 179.5
[M+Na-2H]- 204.027826 138.7
[M]+ 183.05261142 134.8
[M]- 183.05370858 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