CID 262938

98961-41-2

Structural Information

Molecular Formula
C9H13N3O4
SMILES
C1=CC(=NC=C1[N+](=O)[O-])N(CCO)CCO
InChI
InChI=1S/C9H13N3O4/c13-5-3-11(4-6-14)9-2-1-8(7-10-9)12(15)16/h1-2,7,13-14H,3-6H2
InChIKey
YUUZSBYKTCADTD-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-(5-nitropyridin-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0906 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09788 146.3
[M+Na]+ 250.07982 156.8
[M+NH4]+ 245.12442 152.2
[M+K]+ 266.05376 155.3
[M-H]- 226.08332 147.7
[M+Na-2H]- 248.06527 150.9
[M]+ 227.09005 147.7
[M]- 227.09115 147.7
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.