CID 509073

5-(pyrrolidine-1-carbonyl)-1h-imidazole-4-diazonium

Structural Information

Molecular Formula
C8H10N5O
SMILES
C1CCN(C1)C(=O)C2=C(N=CN2)[N+]#N
InChI
InChI=1S/C8H9N5O/c9-12-7-6(10-5-11-7)8(14)13-3-1-2-4-13/h5H,1-4H2/p+1
InChIKey
FOJWIKUQNPKZOJ-UHFFFAOYSA-O
Compound name
5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

192.08853 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09581 140.3
[M+Na]+ 215.07775 148.3
[M-H]- 191.08125 141.7
[M+NH4]+ 210.12235 155.7
[M+K]+ 231.05169 141.1
[M+H-H2O]+ 175.08579 126.3
[M+HCOO]- 237.08673 157.4
[M+CH3COO]- 251.10238 187.8
[M+Na-2H]- 213.06320 144.9
[M]+ 192.08798 130.7
[M]- 192.08908 130.7
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

No patent data available for this compound.