CID 227460

5-amino-3-methyl-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C5H6N4
SMILES
CC1=C(C(=NN1)N)C#N
InChI
InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9)
InChIKey
CRRHJAMDQMQGKG-UHFFFAOYSA-N
Compound name
3-amino-5-methyl-1H-pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

215
Patents

122.05925 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06653 123.0
[M+Na]+ 145.04847 133.6
[M-H]- 121.05197 122.3
[M+NH4]+ 140.09307 141.2
[M+K]+ 161.02241 131.4
[M+H-H2O]+ 105.05651 109.5
[M+HCOO]- 167.05745 142.0
[M+CH3COO]- 181.07310 183.2
[M+Na-2H]- 143.03392 127.9
[M]+ 122.05870 115.2
[M]- 122.05980 115.2
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.