CID 509075

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

Structural Information

Molecular Formula
C10H14N5O
SMILES
CCC1=NC(=C(N1)C(=O)N2CCCC2)[N+]#N
InChI
InChI=1S/C10H13N5O/c1-2-7-12-8(9(13-7)14-11)10(16)15-5-3-4-6-15/h2-6H2,1H3/p+1
InChIKey
VLZOIFUWOYRBAP-UHFFFAOYSA-O
Compound name
2-ethyl-5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.11984 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12712 148.2
[M+Na]+ 243.10906 156.2
[M-H]- 219.11256 149.7
[M+NH4]+ 238.15366 162.9
[M+K]+ 259.08300 148.6
[M+H-H2O]+ 203.11710 134.4
[M+HCOO]- 265.11804 164.8
[M+CH3COO]- 279.13369 194.1
[M+Na-2H]- 241.09451 151.4
[M]+ 220.11929 139.6
[M]- 220.12039 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.