CID 541715

2-hydroxy-5-nitropyridine-3-carbonitrile

Structural Information

Molecular Formula
C6H3N3O3
SMILES
C1=C(C(=O)NC=C1[N+](=O)[O-])C#N
InChI
InChI=1S/C6H3N3O3/c7-2-4-1-5(9(11)12)3-8-6(4)10/h1,3H,(H,8,10)
InChIKey
HLQZJYLEGMYYBY-UHFFFAOYSA-N
Compound name
5-nitro-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

165.01744 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02472 133.9
[M+Na]+ 188.00666 144.2
[M-H]- 164.01016 135.0
[M+NH4]+ 183.05126 149.7
[M+K]+ 203.98060 138.1
[M+H-H2O]+ 148.01470 125.3
[M+HCOO]- 210.01564 154.1
[M+CH3COO]- 224.03129 181.6
[M+Na-2H]- 185.99211 141.5
[M]+ 165.01689 126.4
[M]- 165.01799 126.4
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