CID 130892566

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

Structural Information

Molecular Formula
C4H2INO3
SMILES
C1=C(ON=C1C(=O)O)I
InChI
InChI=1S/C4H2INO3/c5-3-1-2(4(7)8)6-9-3/h1H,(H,7,8)
InChIKey
QSXFEBIJHCTRAW-UHFFFAOYSA-N
Compound name
5-iodo-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

238.90794 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.91522 131.1
[M+Na]+ 261.89716 133.6
[M-H]- 237.90066 126.6
[M+NH4]+ 256.94176 146.6
[M+K]+ 277.87110 139.8
[M+H-H2O]+ 221.90520 122.2
[M+HCOO]- 283.90614 148.8
[M+CH3COO]- 297.92179 175.7
[M+Na-2H]- 259.88261 125.4
[M]+ 238.90739 129.9
[M]- 238.90849 129.9
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