CID 72736536

4-iodo-3-methyl-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H4INO3
SMILES
CC1=NOC(=C1I)C(=O)O
InChI
InChI=1S/C5H4INO3/c1-2-3(6)4(5(8)9)10-7-2/h1H3,(H,8,9)
InChIKey
COJDAYBKEXICHI-UHFFFAOYSA-N
Compound name
4-iodo-3-methyl-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.92358 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.93086 134.9
[M+Na]+ 275.91280 137.8
[M-H]- 251.91630 130.6
[M+NH4]+ 270.95740 150.1
[M+K]+ 291.88674 143.7
[M+H-H2O]+ 235.92084 126.1
[M+HCOO]- 297.92178 152.3
[M+CH3COO]- 311.93743 179.6
[M+Na-2H]- 273.89825 128.0
[M]+ 252.92303 134.4
[M]- 252.92413 134.4
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