CID 354306

1h-pyrazolo[1,5-a]imidazole-7-carbonitrile

Structural Information

Molecular Formula
C6H4N4
SMILES
C1=CN2C(=N1)C(=CN2)C#N
InChI
InChI=1S/C6H4N4/c7-3-5-4-9-10-2-1-8-6(5)10/h1-2,4,9H
InChIKey
JFDUSQYSPLGVQB-UHFFFAOYSA-N
Compound name
5H-imidazo[1,2-b]pyrazole-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

132.0436 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.05088 123.4
[M+Na]+ 155.03282 136.1
[M-H]- 131.03632 122.4
[M+NH4]+ 150.07742 142.7
[M+K]+ 171.00676 132.0
[M+H-H2O]+ 115.04086 108.9
[M+HCOO]- 177.04180 142.3
[M+CH3COO]- 191.05745 135.9
[M+Na-2H]- 153.01827 130.0
[M]+ 132.04305 118.6
[M]- 132.04415 118.6
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

patents stripe