CID 19376020

4-methyl-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C5H7N3O
SMILES
CC1=C(NN=C1)C(=O)N
InChI
InChI=1S/C5H7N3O/c1-3-2-7-8-4(3)5(6)9/h2H,1H3,(H2,6,9)(H,7,8)
InChIKey
OWBTYLSRODUZAK-UHFFFAOYSA-N
Compound name
4-methyl-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

125.058914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 123.7
[M+Na]+ 148.04813 132.4
[M-H]- 124.05164 123.4
[M+NH4]+ 143.09274 143.8
[M+K]+ 164.02207 130.6
[M+H-H2O]+ 108.05617 117.1
[M+HCOO]- 170.05712 146.0
[M+CH3COO]- 184.07276 169.3
[M+Na-2H]- 146.03358 128.5
[M]+ 125.05837 120.6
[M]- 125.05946 120.6
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

patents stripe