CID 118703280

153954-80-4

Structural Information

Molecular Formula
C5H6BrNO3
SMILES
C(C1=C(ON=C1Br)CO)O
InChI
InChI=1S/C5H6BrNO3/c6-5-3(1-8)4(2-9)10-7-5/h8-9H,1-2H2
InChIKey
HUUQVBZEXANGIH-UHFFFAOYSA-N
Compound name
[3-bromo-5-(hydroxymethyl)-1,2-oxazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.95311 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.96039 133.6
[M+Na]+ 229.94233 146.5
[M-H]- 205.94583 137.3
[M+NH4]+ 224.98693 154.4
[M+K]+ 245.91627 137.0
[M+H-H2O]+ 189.95037 134.0
[M+HCOO]- 251.95131 153.2
[M+CH3COO]- 265.96696 176.1
[M+Na-2H]- 227.92778 141.0
[M]+ 206.95256 153.5
[M]- 206.95366 153.5
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.