CID 219740

5-amino-1-methyl-1h-pyrazole-4-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

309
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

literature stripe

Patent stripe

patents stripe