CID 4739151

2-amino-4,5-diethoxybenzoic acid

Structural Information

Molecular Formula
C11H15NO4
SMILES
CCOC1=C(C=C(C(=C1)C(=O)O)N)OCC
InChI
InChI=1S/C11H15NO4/c1-3-15-9-5-7(11(13)14)8(12)6-10(9)16-4-2/h5-6H,3-4,12H2,1-2H3,(H,13,14)
InChIKey
KXEWHLXSXBEBMU-UHFFFAOYSA-N
Compound name
2-amino-4,5-diethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

225.10011 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 148.3
[M+Na]+ 248.089328 156.1
[M-H]- 224.092834 150.7
[M+NH4]+ 243.133933 165.8
[M+K]+ 264.063268 154.6
[M+H-H2O]+ 208.097370 142.2
[M+HCOO]- 270.098311 171.2
[M+CH3COO]- 284.113961 190.9
[M+Na-2H]- 246.074776 150.9
[M]+ 225.09956142 150.9
[M]- 225.10065858 150.9
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