CID 83385405

1393101-11-5

Structural Information

Molecular Formula
C5H6N4
SMILES
CN1C(=C(C=N1)N)C#N
InChI
InChI=1S/C5H6N4/c1-9-5(2-6)4(7)3-8-9/h3H,7H2,1H3
InChIKey
DKIXJJWMOCKVJG-UHFFFAOYSA-N
Compound name
4-amino-1-methylpyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

122.05925 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.066526 121.4
[M+Na]+ 145.048468 132.4
[M-H]- 121.051974 121.9
[M+NH4]+ 140.093073 140.2
[M+K]+ 161.022408 130.9
[M+H-H2O]+ 105.056510 107.6
[M+HCOO]- 167.057451 141.7
[M+CH3COO]- 181.073101 185.5
[M+Na-2H]- 143.033916 126.8
[M]+ 122.05870142 115.3
[M]- 122.05979858 115.3
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