CID 509077

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

Structural Information

Molecular Formula
C11H16N5O
SMILES
CC(C)C1=NC(=C(N1)C(=O)N2CCCC2)[N+]#N
InChI
InChI=1S/C11H15N5O/c1-7(2)9-13-8(10(14-9)15-12)11(17)16-5-3-4-6-16/h7H,3-6H2,1-2H3/p+1
InChIKey
UZPJFJVAMIOZQT-UHFFFAOYSA-O
Compound name
2-propan-2-yl-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 153.3
[M+Na]+ 257.12470 160.6
[M-H]- 233.12820 154.8
[M+NH4]+ 252.16930 167.4
[M+K]+ 273.09864 153.2
[M+H-H2O]+ 217.13274 139.4
[M+HCOO]- 279.13368 168.7
[M+CH3COO]- 293.14933 197.5
[M+Na-2H]- 255.11015 154.9
[M]+ 234.13493 144.4
[M]- 234.13603 144.4
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.