CID 57708513

4-oxo-4-pyridin-3-ylbutane-1-diazonium

Structural Information

Molecular Formula
C9H10N3O
SMILES
C1=CC(=CN=C1)C(=O)CCC[N+]#N
InChI
InChI=1S/C9H10N3O/c10-12-6-2-4-9(13)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2/q+1
InChIKey
HDGCAMXBLGYZJC-UHFFFAOYSA-N
Compound name
4-oxo-4-pyridin-3-ylbutane-1-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

176.08238 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08966 138.6
[M+Na]+ 199.07160 147.2
[M-H]- 175.07510 141.4
[M+NH4]+ 194.11620 155.1
[M+K]+ 215.04554 140.6
[M+H-H2O]+ 159.07964 127.0
[M+HCOO]- 221.08058 159.5
[M+CH3COO]- 235.09623 190.5
[M+Na-2H]- 197.05705 147.6
[M]+ 176.08183 133.6
[M]- 176.08293 133.6
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.