CID 54594131

1-(2-aminoethyl)-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C6H8N4
SMILES
C1=C(C=NN1CCN)C#N
InChI
InChI=1S/C6H8N4/c7-1-2-10-5-6(3-8)4-9-10/h4-5H,1-2,7H2
InChIKey
AXUGJWJOACLTEH-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.07489 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.08217 125.2
[M+Na]+ 159.06411 134.9
[M-H]- 135.06761 125.1
[M+NH4]+ 154.10871 143.2
[M+K]+ 175.03805 133.2
[M+H-H2O]+ 119.07215 110.8
[M+HCOO]- 181.07309 145.2
[M+CH3COO]- 195.08874 187.2
[M+Na-2H]- 157.04956 130.8
[M]+ 136.07434 119.0
[M]- 136.07544 119.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.