CID 14579135

1-methyl-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C5H7N3O
SMILES
CN1C=C(C=N1)C(=O)N
InChI
InChI=1S/C5H7N3O/c1-8-3-4(2-7-8)5(6)9/h2-3H,1H3,(H2,6,9)
InChIKey
JHAHAUYJIIKYIC-UHFFFAOYSA-N
Compound name
1-methylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

737
Patents

125.058914 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 123.5
[M+Na]+ 148.04813 133.7
[M+NH4]+ 143.09274 130.7
[M+K]+ 164.02207 131.5
[M-H]- 124.05164 123.4
[M+Na-2H]- 146.03358 128.5
[M]+ 125.05837 124.5
[M]- 125.05946 124.5
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

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