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-1-methylpyrazole-5-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]+ 124.050536 119.8
[M+Na]+ 146.032478 131.3
[M-H]- 122.035984 119.6
[M+NH4]+ 141.077083 138.6
[M+K]+ 162.006418 129.7
[M+H-H2O]+ 106.040520 106.6
[M+HCOO]- 168.041461 138.7
[M+CH3COO]- 182.057111 181.2
[M+Na-2H]- 144.017926 125.5
[M]+ 123.04271142 115.0
[M]- 123.04380858 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.