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

16
Patents

123.04326 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05054 122.3
[M+Na]+ 146.03248 133.6
[M-H]- 122.03598 120.9
[M+NH4]+ 141.07708 140.3
[M+K]+ 162.00642 130.7
[M+H-H2O]+ 106.04052 109.3
[M+HCOO]- 168.04146 140.0
[M+CH3COO]- 182.05711 178.2
[M+Na-2H]- 144.01793 127.3
[M]+ 123.04271 115.1
[M]- 123.04381 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