CID 11658456

2-amino-4,6-dimethoxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

197.0688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 139.0
[M+Na]+ 220.058018 147.7
[M-H]- 196.061524 141.8
[M+NH4]+ 215.102623 157.6
[M+K]+ 236.031958 146.6
[M+H-H2O]+ 180.066060 133.3
[M+HCOO]- 242.067001 162.5
[M+CH3COO]- 256.082651 184.9
[M+Na-2H]- 218.043466 142.7
[M]+ 197.06825142 140.9
[M]- 197.06934858 140.9
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