CID 13464586

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

393
Patents

125.058914 Da
Monoisotopic Mass

-0.6
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

No literature data available for this compound.

Patent stripe

patents stripe