CID 509076

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

Structural Information

Molecular Formula
C11H16N5O
SMILES
CCCC1=NC(=C(N1)C(=O)N2CCCC2)[N+]#N
InChI
InChI=1S/C11H15N5O/c1-2-5-8-13-9(10(14-8)15-12)11(17)16-6-3-4-7-16/h2-7H2,1H3/p+1
InChIKey
UCHRMGHEMKAEAB-UHFFFAOYSA-O
Compound name
2-propyl-5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.13548 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14276 152.1
[M+Na]+ 257.12470 159.7
[M-H]- 233.12820 153.4
[M+NH4]+ 252.16930 166.3
[M+K]+ 273.09864 151.9
[M+H-H2O]+ 217.13274 138.1
[M+HCOO]- 279.13368 168.4
[M+CH3COO]- 293.14933 196.8
[M+Na-2H]- 255.11015 154.8
[M]+ 234.13493 143.8
[M]- 234.13603 143.8
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.