CID 131395408

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

Structural Information

Molecular Formula
C5H5N3O
SMILES
CN1C(=C(C=N1)O)C#N
InChI
InChI=1S/C5H5N3O/c1-8-4(2-6)5(9)3-7-8/h3,9H,1H3
InChIKey
AMYHDGIVCADZPZ-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methylpyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.04326 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05054 119.8
[M+Na]+ 146.03248 131.3
[M-H]- 122.03598 119.6
[M+NH4]+ 141.07708 138.6
[M+K]+ 162.00642 129.7
[M+H-H2O]+ 106.04052 106.6
[M+HCOO]- 168.04146 138.7
[M+CH3COO]- 182.05711 181.2
[M+Na-2H]- 144.01793 125.5
[M]+ 123.04271 115.0
[M]- 123.04381 115.0
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

No patent data available for this compound.