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

10
Patents

225.10011 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 148.3
[M+Na]+ 248.08933 156.1
[M-H]- 224.09283 150.7
[M+NH4]+ 243.13393 165.8
[M+K]+ 264.06327 154.6
[M+H-H2O]+ 208.09737 142.2
[M+HCOO]- 270.09831 171.2
[M+CH3COO]- 284.11396 190.9
[M+Na-2H]- 246.07478 150.9
[M]+ 225.09956 150.9
[M]- 225.10066 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