CID 132343778

Methyl 5-iodo-1,2-oxazole-3-carboxylate

Structural Information

Molecular Formula
C5H4INO3
SMILES
COC(=O)C1=NOC(=C1)I
InChI
InChI=1S/C5H4INO3/c1-9-5(8)3-2-4(6)10-7-3/h2H,1H3
InChIKey
LOUWMWFZSKWPSF-UHFFFAOYSA-N
Compound name
methyl 5-iodo-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.92358 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.93086 134.3
[M+Na]+ 275.91280 136.9
[M-H]- 251.91630 130.9
[M+NH4]+ 270.95740 150.0
[M+K]+ 291.88674 143.7
[M+H-H2O]+ 235.92084 125.1
[M+HCOO]- 297.92178 153.2
[M+CH3COO]- 311.93743 180.3
[M+Na-2H]- 273.89825 128.6
[M]+ 252.92303 135.2
[M]- 252.92413 135.2
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.