CID 509074

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

Structural Information

Molecular Formula
C9H12N5O
SMILES
CC1=NC(=C(N1)C(=O)N2CCCC2)[N+]#N
InChI
InChI=1S/C9H11N5O/c1-6-11-7(8(12-6)13-10)9(15)14-4-2-3-5-14/h2-5H2,1H3/p+1
InChIKey
PJNQHPRGPKCPNR-UHFFFAOYSA-O
Compound name
2-methyl-5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.10419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11147 144.4
[M+Na]+ 229.09341 152.8
[M-H]- 205.09691 146.0
[M+NH4]+ 224.13801 159.5
[M+K]+ 245.06735 145.3
[M+H-H2O]+ 189.10145 130.6
[M+HCOO]- 251.10239 161.2
[M+CH3COO]- 265.11804 191.4
[M+Na-2H]- 227.07886 147.9
[M]+ 206.10364 135.4
[M]- 206.10474 135.4
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.