CID 136305603

4-hydroxy-1-methyl-1h-pyrazole-5-carbaldehyde hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.04293 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05021 121.2
[M+Na]+ 149.03215 131.9
[M-H]- 125.03565 121.7
[M+NH4]+ 144.07675 142.3
[M+K]+ 165.00609 130.6
[M+H-H2O]+ 109.04019 115.3
[M+HCOO]- 171.04113 144.3
[M+CH3COO]- 185.05678 167.5
[M+Na-2H]- 147.01760 127.2
[M]+ 126.04238 122.4
[M]- 126.04348 122.4
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.