CID 4962701

5-amino-3-(pyrrolidin-1-yl)-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C8H11N5
SMILES
C1CCN(C1)C2=NNC(=C2C#N)N
InChI
InChI=1S/C8H11N5/c9-5-6-7(10)11-12-8(6)13-3-1-2-4-13/h1-4H2,(H3,10,11,12)
InChIKey
RQDSNKYYHIZWJX-UHFFFAOYSA-N
Compound name
5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

28
Patents

177.10144 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.10872 136.2
[M+Na]+ 200.09066 145.0
[M-H]- 176.09416 136.0
[M+NH4]+ 195.13526 152.0
[M+K]+ 216.06460 141.2
[M+H-H2O]+ 160.09870 120.5
[M+HCOO]- 222.09964 152.4
[M+CH3COO]- 236.11529 146.4
[M+Na-2H]- 198.07611 137.7
[M]+ 177.10089 125.8
[M]- 177.10199 125.8
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