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

literature stripe

Patent stripe

patents stripe