CID 587937

2-(2-hydroxyethoxy)-5-nitropyridine

Structural Information

Molecular Formula
C7H8N2O4
SMILES
C1=CC(=NC=C1[N+](=O)[O-])OCCO
InChI
InChI=1S/C7H8N2O4/c10-3-4-13-7-2-1-6(5-8-7)9(11)12/h1-2,5,10H,3-4H2
InChIKey
KESQFSZFUCZCEI-UHFFFAOYSA-N
Compound name
2-(5-nitropyridin-2-yl)oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2933
Patents

184.0484 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 134.1
[M+Na]+ 207.03762 141.5
[M-H]- 183.04112 135.5
[M+NH4]+ 202.08222 151.1
[M+K]+ 223.01156 136.3
[M+H-H2O]+ 167.04566 132.2
[M+HCOO]- 229.04660 158.2
[M+CH3COO]- 243.06225 171.7
[M+Na-2H]- 205.02307 143.5
[M]+ 184.04785 133.9
[M]- 184.04895 133.9
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