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

151
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 139.0
[M+Na]+ 220.05802 147.7
[M-H]- 196.06152 141.8
[M+NH4]+ 215.10262 157.6
[M+K]+ 236.03196 146.6
[M+H-H2O]+ 180.06606 133.3
[M+HCOO]- 242.06700 162.5
[M+CH3COO]- 256.08265 184.9
[M+Na-2H]- 218.04347 142.7
[M]+ 197.06825 140.9
[M]- 197.06935 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