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
1
Annotation Hits

0
References

281
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 124.6
[M+Na]+ 145.04847 135.3
[M+NH4]+ 140.09307 128.9
[M+K]+ 161.02241 129.0
[M-H]- 121.05197 118.1
[M+Na-2H]- 143.03392 127.6
[M]+ 122.05870 123.2
[M]- 122.05980 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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