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

11
Patents

241.09502 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10230 150.8
[M+Na]+ 264.08424 158.4
[M-H]- 240.08774 153.1
[M+NH4]+ 259.12884 167.5
[M+K]+ 280.05818 157.5
[M+H-H2O]+ 224.09228 144.3
[M+HCOO]- 286.09322 173.8
[M+CH3COO]- 300.10887 193.2
[M+Na-2H]- 262.06969 153.5
[M]+ 241.09447 154.8
[M]- 241.09557 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