CID 22003657

2-(bromomethyl)-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H4BrNO3
SMILES
C1=C(N=C(O1)CBr)C(=O)O
InChI
InChI=1S/C5H4BrNO3/c6-1-4-7-3(2-10-4)5(8)9/h2H,1H2,(H,8,9)
InChIKey
PLJLLCUKFGXPBW-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

204.93745 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.94473 136.6
[M+Na]+ 227.92667 138.3
[M+NH4]+ 222.97127 140.0
[M+K]+ 243.90061 142.0
[M-H]- 203.93017 135.7
[M+Na-2H]- 225.91212 137.5
[M]+ 204.93690 135.2
[M]- 204.93800 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

patents stripe