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]+ 166.10872 134.9
[M+Na]+ 188.09066 143.7
[M-H]- 164.09416 133.3
[M+NH4]+ 183.13526 150.8
[M+K]+ 204.06460 141.0
[M+H-H2O]+ 148.09870 120.5
[M+HCOO]- 210.09964 153.5
[M+CH3COO]- 224.11529 192.7
[M+Na-2H]- 186.07611 138.2
[M]+ 165.10089 126.1
[M]- 165.10199 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.