CID 509078

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

Structural Information

Molecular Formula
C12H18N5O
SMILES
CCCCC1=NC(=C(N1)C(=O)N2CCCC2)[N+]#N
InChI
InChI=1S/C12H17N5O/c1-2-3-6-9-14-10(11(15-9)16-13)12(18)17-7-4-5-8-17/h2-8H2,1H3/p+1
InChIKey
IDFOYJBXEQMGKI-UHFFFAOYSA-O
Compound name
2-butyl-5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.15114 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15842 156.0
[M+Na]+ 271.14036 163.2
[M-H]- 247.14386 157.1
[M+NH4]+ 266.18496 169.6
[M+K]+ 287.11430 155.1
[M+H-H2O]+ 231.14840 141.8
[M+HCOO]- 293.14934 171.9
[M+CH3COO]- 307.16499 199.4
[M+Na-2H]- 269.12581 158.2
[M]+ 248.15059 147.9
[M]- 248.15169 147.9
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.