CID 118989953

4-iodo-3-methylisoxazole-5-carbaldehyde

Structural Information

Molecular Formula
C5H4INO2
SMILES
CC1=NOC(=C1I)C=O
InChI
InChI=1S/C5H4INO2/c1-3-5(6)4(2-8)9-7-3/h2H,1H3
InChIKey
ZFEZFQYTKQZHGJ-UHFFFAOYSA-N
Compound name
4-iodo-3-methyl-1,2-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

236.92868 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.93596 128.8
[M+Na]+ 259.91790 132.6
[M-H]- 235.92140 125.7
[M+NH4]+ 254.96250 145.5
[M+K]+ 275.89184 138.5
[M+H-H2O]+ 219.92594 120.1
[M+HCOO]- 281.92688 148.4
[M+CH3COO]- 295.94253 179.3
[M+Na-2H]- 257.90335 123.8
[M]+ 236.92813 129.4
[M]- 236.92923 129.4
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

patents stripe