CID 83478685

3-hydroxy-1-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C5H6N2O2
SMILES
CN1C=C(C(=O)N1)C=O
InChI
InChI=1S/C5H6N2O2/c1-7-2-4(3-8)5(9)6-7/h2-3H,1H3,(H,6,9)
InChIKey
OLXKOHGCSFTLSM-UHFFFAOYSA-N
Compound name
2-methyl-5-oxo-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

126.04293 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.050206 120.5
[M+Na]+ 149.032148 131.5
[M-H]- 125.035654 121.0
[M+NH4]+ 144.076753 141.5
[M+K]+ 165.006088 129.5
[M+H-H2O]+ 109.040190 114.6
[M+HCOO]- 171.041131 143.8
[M+CH3COO]- 185.056781 166.7
[M+Na-2H]- 147.017596 126.4
[M]+ 126.04238142 121.0
[M]- 126.04347858 121.0
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

patents stripe