CID 114021

63680-91-1

Structural Information

Molecular Formula
C6H8N4
SMILES
CCC1=C(C(=NN1)N)C#N
InChI
InChI=1S/C6H8N4/c1-2-5-4(3-7)6(8)10-9-5/h2H2,1H3,(H3,8,9,10)
InChIKey
OUKWXMBLFGLIOD-UHFFFAOYSA-N
Compound name
3-amino-5-ethyl-1H-pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

136.07489 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.08217 126.9
[M+Na]+ 159.06411 137.1
[M-H]- 135.06761 126.0
[M+NH4]+ 154.10871 144.6
[M+K]+ 175.03805 134.7
[M+H-H2O]+ 119.07215 113.2
[M+HCOO]- 181.07309 145.6
[M+CH3COO]- 195.08874 185.9
[M+Na-2H]- 157.04956 131.3
[M]+ 136.07434 119.4
[M]- 136.07544 119.4
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

patents stripe