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]+ 180.124376 137.6
[M+Na]+ 202.106318 146.5
[M-H]- 178.109824 138.8
[M+NH4]+ 197.150923 154.5
[M+K]+ 218.080258 145.7
[M+H-H2O]+ 162.114360 122.6
[M+HCOO]- 224.115301 158.2
[M+CH3COO]- 238.130951 201.3
[M+Na-2H]- 200.091766 141.2
[M]+ 179.11655142 132.8
[M]- 179.11764858 132.8
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.