CID 69015117

5-hydroxy-3-methyl-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C5H5N3O
SMILES
CC1=C(C(=O)NN1)C#N
InChI
InChI=1S/C5H5N3O/c1-3-4(2-6)5(9)8-7-3/h1H3,(H2,7,8,9)
InChIKey
GELXXLQGJTXCFF-UHFFFAOYSA-N
Compound name
3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

123.04326 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.050536 122.3
[M+Na]+ 146.032478 133.6
[M-H]- 122.035984 120.9
[M+NH4]+ 141.077083 140.3
[M+K]+ 162.006418 130.7
[M+H-H2O]+ 106.040520 109.3
[M+HCOO]- 168.041461 140.0
[M+CH3COO]- 182.057111 178.2
[M+Na-2H]- 144.017926 127.3
[M]+ 123.04271142 115.1
[M]- 123.04380858 115.1
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