CID 219870

5-amino-1,3-dimethyl-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C6H8N4
SMILES
CC1=NN(C(=C1C#N)N)C
InChI
InChI=1S/C6H8N4/c1-4-5(3-7)6(8)10(2)9-4/h8H2,1-2H3
InChIKey
FZJSBIMCUGPBKX-UHFFFAOYSA-N
Compound name
5-amino-1,3-dimethylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

136.07489 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.082166 125.3
[M+Na]+ 159.064108 136.7
[M-H]- 135.067614 126.1
[M+NH4]+ 154.108713 143.9
[M+K]+ 175.038048 135.1
[M+H-H2O]+ 119.072150 111.8
[M+HCOO]- 181.073091 145.4
[M+CH3COO]- 195.088741 189.3
[M+Na-2H]- 157.049556 129.6
[M]+ 136.07434142 119.9
[M]- 136.07543858 119.9
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