CID 43379927

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

Structural Information

Molecular Formula
C9H11NO4
SMILES
C1=CC(=C(C=C1C(=O)O)OCCO)N
InChI
InChI=1S/C9H11NO4/c10-7-2-1-6(9(12)13)5-8(7)14-4-3-11/h1-2,5,11H,3-4,10H2,(H,12,13)
InChIKey
AOEKTLZVHAMNGW-UHFFFAOYSA-N
Compound name
4-amino-3-(2-hydroxyethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.0688 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 140.0
[M+Na]+ 220.05802 147.3
[M-H]- 196.06152 140.9
[M+NH4]+ 215.10262 157.5
[M+K]+ 236.03196 145.3
[M+H-H2O]+ 180.06606 134.2
[M+HCOO]- 242.06700 162.0
[M+CH3COO]- 256.08265 181.2
[M+Na-2H]- 218.04347 143.8
[M]+ 197.06825 139.6
[M]- 197.06935 139.6
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