CID 97005

2-((5-nitro-2-pyridyl)amino)ethanol

Structural Information

Molecular Formula
C7H9N3O3
SMILES
C1=CC(=NC=C1[N+](=O)[O-])NCCO
InChI
InChI=1S/C7H9N3O3/c11-4-3-8-7-2-1-6(5-9-7)10(12)13/h1-2,5,11H,3-4H2,(H,8,9)
InChIKey
STGZMDMCSWZWHU-UHFFFAOYSA-N
Compound name
2-[(5-nitro-2-pyridinyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

183.06439 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.071666 133.7
[M+Na]+ 206.053608 140.3
[M-H]- 182.057114 135.0
[M+NH4]+ 201.098213 150.4
[M+K]+ 222.027548 134.4
[M+H-H2O]+ 166.061650 131.5
[M+HCOO]- 228.062591 158.6
[M+CH3COO]- 242.078241 174.4
[M+Na-2H]- 204.039056 143.5
[M]+ 183.06384142 131.4
[M]- 183.06493858 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe