CID 203464

2-hydroxyethyl p-aminosalicylate

Structural Information

Molecular Formula
C9H11NO4
SMILES
C1=CC(=C(C=C1N)O)C(=O)OCCO
InChI
InChI=1S/C9H11NO4/c10-6-1-2-7(8(12)5-6)9(13)14-4-3-11/h1-2,5,11-12H,3-4,10H2
InChIKey
QOKFTPXJXYSLPB-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 4-amino-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0688 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 140.3
[M+Na]+ 220.05802 147.7
[M-H]- 196.06152 141.2
[M+NH4]+ 215.10262 157.9
[M+K]+ 236.03196 145.7
[M+H-H2O]+ 180.06606 134.5
[M+HCOO]- 242.06700 162.3
[M+CH3COO]- 256.08265 180.6
[M+Na-2H]- 218.04347 144.0
[M]+ 197.06825 139.8
[M]- 197.06935 139.8
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

No patent data available for this compound.