CID 125725752

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

Structural Information

Molecular Formula
C5H5IN2O
SMILES
CN1C=C(C(=N1)I)C=O
InChI
InChI=1S/C5H5IN2O/c1-8-2-4(3-9)5(6)7-8/h2-3H,1H3
InChIKey
UQGWNCKMTRCVLG-UHFFFAOYSA-N
Compound name
3-iodo-1-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

235.94466 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.95194 131.2
[M+Na]+ 258.93388 135.8
[M+NH4]+ 253.97848 134.6
[M+K]+ 274.90782 135.4
[M-H]- 234.93738 125.1
[M+Na-2H]- 256.91933 124.2
[M]+ 235.94411 128.8
[M]- 235.94521 128.8
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