CID 10654213

1-methyl-3-amino-4-cyanopyrazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

122.05925 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06653 121.4
[M+Na]+ 145.04847 132.4
[M-H]- 121.05197 121.9
[M+NH4]+ 140.09307 140.2
[M+K]+ 161.02241 130.9
[M+H-H2O]+ 105.05651 107.6
[M+HCOO]- 167.05745 141.7
[M+CH3COO]- 181.07310 185.5
[M+Na-2H]- 143.03392 126.8
[M]+ 122.05870 115.3
[M]- 122.05980 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