CID 136320989

1h,2h,3h-pyrazolo[1,5-a]imidazole-7-carbonitrile

Structural Information

Molecular Formula
C6H6N4
SMILES
C1CN2C(=C(C=N2)C#N)N1
InChI
InChI=1S/C6H6N4/c7-3-5-4-9-10-2-1-8-6(5)10/h4,8H,1-2H2
InChIKey
ZXWKIFZLRULDQS-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.05925 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.066526 124.2
[M+Na]+ 157.048468 135.0
[M-H]- 133.051974 122.6
[M+NH4]+ 152.093073 143.2
[M+K]+ 173.022408 131.3
[M+H-H2O]+ 117.056510 109.6
[M+HCOO]- 179.057451 140.6
[M+CH3COO]- 193.073101 135.8
[M+Na-2H]- 155.033916 129.1
[M]+ 134.05870142 116.9
[M]- 134.05979858 116.9
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.