CID 2398027

5-amino-3-(3-aminopropyl)-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C7H11N5
SMILES
C(CC1=C(C(=NN1)N)C#N)CN
InChI
InChI=1S/C7H11N5/c8-3-1-2-6-5(4-9)7(10)12-11-6/h1-3,8H2,(H3,10,11,12)
InChIKey
AALOEZGCFHDEHM-UHFFFAOYSA-N
Compound name
3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

165.10144 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.108716 134.9
[M+Na]+ 188.090658 143.7
[M-H]- 164.094164 133.3
[M+NH4]+ 183.135263 150.8
[M+K]+ 204.064598 141.0
[M+H-H2O]+ 148.098700 120.5
[M+HCOO]- 210.099641 153.5
[M+CH3COO]- 224.115291 192.7
[M+Na-2H]- 186.076106 138.2
[M]+ 165.10089142 126.1
[M]- 165.10198858 126.1
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.