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

4
Patents

126.04293 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05021 120.5
[M+Na]+ 149.03215 131.5
[M-H]- 125.03565 121.0
[M+NH4]+ 144.07675 141.5
[M+K]+ 165.00609 129.5
[M+H-H2O]+ 109.04019 114.6
[M+HCOO]- 171.04113 143.8
[M+CH3COO]- 185.05678 166.7
[M+Na-2H]- 147.01760 126.4
[M]+ 126.04238 121.0
[M]- 126.04348 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