CID 43379837

4-amino-3-(2-methoxyethoxy)benzoic acid

Structural Information

Molecular Formula
C10H13NO4
SMILES
COCCOC1=C(C=CC(=C1)C(=O)O)N
InChI
InChI=1S/C10H13NO4/c1-14-4-5-15-9-6-7(10(12)13)2-3-8(9)11/h2-3,6H,4-5,11H2,1H3,(H,12,13)
InChIKey
MAAMPCMOMGWIBW-UHFFFAOYSA-N
Compound name
4-amino-3-(2-methoxyethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.08446 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.091736 144.1
[M+Na]+ 234.073678 151.3
[M-H]- 210.077184 146.2
[M+NH4]+ 229.118283 161.7
[M+K]+ 250.047618 150.0
[M+H-H2O]+ 194.081720 137.8
[M+HCOO]- 256.082661 167.2
[M+CH3COO]- 270.098311 186.6
[M+Na-2H]- 232.059126 147.8
[M]+ 211.08391142 145.9
[M]- 211.08500858 145.9
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

No patent data available for this compound.