CID 15239624

33064-36-7

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

10578
Patents

111.04326 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.050536 119.1
[M+Na]+ 134.032478 127.3
[M-H]- 110.035984 118.6
[M+NH4]+ 129.077083 139.5
[M+K]+ 150.006418 125.8
[M+H-H2O]+ 94.040520 112.4
[M+HCOO]- 156.041461 141.8
[M+CH3COO]- 170.057111 165.2
[M+Na-2H]- 132.017926 125.2
[M]+ 111.04271142 115.3
[M]- 111.04380858 115.3
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