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-nitro-2-pyridinyl)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]+ 228.097876 145.9
[M+Na]+ 250.079818 151.1
[M-H]- 226.083324 146.9
[M+NH4]+ 245.124423 160.7
[M+K]+ 266.053758 145.9
[M+H-H2O]+ 210.087860 143.1
[M+HCOO]- 272.088801 169.3
[M+CH3COO]- 286.104451 183.3
[M+Na-2H]- 248.065266 153.6
[M]+ 227.09005142 145.0
[M]- 227.09114858 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.