CID 16227152

2-amino-5-methoxy-4-(2-methoxyethoxy)benzoic acid

Structural Information

Molecular Formula
C11H15NO5
SMILES
COCCOC1=C(C=C(C(=C1)N)C(=O)O)OC
InChI
InChI=1S/C11H15NO5/c1-15-3-4-17-10-6-8(12)7(11(13)14)5-9(10)16-2/h5-6H,3-4,12H2,1-2H3,(H,13,14)
InChIKey
HITVTTWDAMHBTQ-UHFFFAOYSA-N
Compound name
2-amino-5-methoxy-4-(2-methoxyethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.09502 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.102296 150.8
[M+Na]+ 264.084238 158.4
[M-H]- 240.087744 153.1
[M+NH4]+ 259.128843 167.5
[M+K]+ 280.058178 157.5
[M+H-H2O]+ 224.092280 144.3
[M+HCOO]- 286.093221 173.8
[M+CH3COO]- 300.108871 193.2
[M+Na-2H]- 262.069686 153.5
[M]+ 241.09447142 154.8
[M]- 241.09556858 154.8
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