CID 79736

2-amino-4,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C9H11NO4
SMILES
COC1=C(C=C(C(=C1)C(=O)O)N)OC
InChI
InChI=1S/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12)
InChIKey
HJVAVGOPTDJYOJ-UHFFFAOYSA-N
Compound name
2-amino-4,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1384
Patents

197.0688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 140.1
[M+Na]+ 220.05802 150.9
[M+NH4]+ 215.10262 146.6
[M+K]+ 236.03196 147.2
[M-H]- 196.06152 140.7
[M+Na-2H]- 218.04347 144.5
[M]+ 197.06825 141.5
[M]- 197.06935 141.5
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