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

1064
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 122.8
[M+Na]+ 148.04813 131.9
[M-H]- 124.05164 124.0
[M+NH4]+ 143.09274 143.7
[M+K]+ 164.02207 131.1
[M+H-H2O]+ 108.05617 116.1
[M+HCOO]- 170.05712 146.7
[M+CH3COO]- 184.07276 171.9
[M+Na-2H]- 146.03358 128.2
[M]+ 125.05837 121.7
[M]- 125.05946 121.7
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