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 145.9
[M+Na]+ 250.07982 151.1
[M-H]- 226.08332 146.9
[M+NH4]+ 245.12442 160.7
[M+K]+ 266.05376 145.9
[M+H-H2O]+ 210.08786 143.1
[M+HCOO]- 272.08880 169.3
[M+CH3COO]- 286.10445 183.3
[M+Na-2H]- 248.06527 153.6
[M]+ 227.09005 145.0
[M]- 227.09115 145.0
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.