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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.960386	133.6
[M+Na]+	229.942328	146.5
[M-H]-	205.945834	137.3
[M+NH4]+	224.986933	154.4
[M+K]+	245.916268	137.0
[M+H-H2O]+	189.950370	134.0
[M+HCOO]-	251.951311	153.2
[M+CH3COO]-	265.966961	176.1
[M+Na-2H]-	227.927776	141.0
[M]+	206.95256142	153.5
[M]-	206.95365858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.