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

197
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

literature stripe

Patent stripe

patents stripe