CID 1589813

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

Structural Information

Molecular Formula
C9H15N5
SMILES
C(CCC1=C(C(=NN1)N)C#N)CCN
InChI
InChI=1S/C9H15N5/c10-5-3-1-2-4-8-7(6-11)9(12)14-13-8/h1-5,10H2,(H3,12,13,14)
InChIKey
QYJXKJNINAQHJL-UHFFFAOYSA-N
Compound name
3-amino-5-(5-aminopentyl)-1H-pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

193.13275 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.14003 142.3
[M+Na]+ 216.12197 150.3
[M-H]- 192.12547 140.5
[M+NH4]+ 211.16657 157.3
[M+K]+ 232.09591 147.3
[M+H-H2O]+ 176.13001 127.7
[M+HCOO]- 238.13095 160.4
[M+CH3COO]- 252.14660 198.2
[M+Na-2H]- 214.10742 144.8
[M]+ 193.13220 134.2
[M]- 193.13330 134.2
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.