CID 70529178

2-bromo-4-methyloxazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H4BrNO3
SMILES
CC1=C(OC(=N1)Br)C(=O)O
InChI
InChI=1S/C5H4BrNO3/c1-2-3(4(8)9)10-5(6)7-2/h1H3,(H,8,9)
InChIKey
PSVNMFHDKLSEMC-UHFFFAOYSA-N
Compound name
2-bromo-4-methyl-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.93745 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.94473 136.1
[M+Na]+ 227.92667 138.1
[M+NH4]+ 222.97127 139.5
[M+K]+ 243.90061 142.0
[M-H]- 203.93017 135.3
[M+Na-2H]- 225.91212 136.8
[M]+ 204.93690 134.7
[M]- 204.93800 134.7
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.