CID 12841542

2-amino-3,5-dimethoxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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

No literature data available for this compound.

Patent stripe

patents stripe