CID 15239624

1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C4H5N3O
SMILES
C1=C(NN=C1)C(=O)N
InChI
InChI=1S/C4H5N3O/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)(H,6,7)
InChIKey
BNYCHCAYYYRJSH-UHFFFAOYSA-N
Compound name
1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

6820
Patents

111.04326 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.05054 119.6
[M+Na]+ 134.03248 129.0
[M+NH4]+ 129.07708 126.5
[M+K]+ 150.00642 127.2
[M-H]- 110.03598 118.9
[M+Na-2H]- 132.01793 124.4
[M]+ 111.04271 120.2
[M]- 111.04381 120.2
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