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]+ 194.140026 142.3
[M+Na]+ 216.121968 150.3
[M-H]- 192.125474 140.5
[M+NH4]+ 211.166573 157.3
[M+K]+ 232.095908 147.3
[M+H-H2O]+ 176.130010 127.7
[M+HCOO]- 238.130951 160.4
[M+CH3COO]- 252.146601 198.2
[M+Na-2H]- 214.107416 144.8
[M]+ 193.13220142 134.2
[M]- 193.13329858 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.