CID 81880543

1550792-87-4

Structural Information

Molecular Formula
C8H13N5
SMILES
CN(C)CCN1C=C(C(=N1)N)C#N
InChI
InChI=1S/C8H13N5/c1-12(2)3-4-13-6-7(5-9)8(10)11-13/h6H,3-4H2,1-2H3,(H2,10,11)
InChIKey
IHPSHLQCSQELDK-UHFFFAOYSA-N
Compound name
3-amino-1-[2-(dimethylamino)ethyl]pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.1171 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.12438 141.2
[M+Na]+ 202.10632 150.3
[M+NH4]+ 197.15092 144.8
[M+K]+ 218.08026 144.1
[M-H]- 178.10982 135.1
[M+Na-2H]- 200.09177 143.4
[M]+ 179.11655 139.6
[M]- 179.11765 139.6
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.