CID 145913295

(4-bromo-3-methoxy-1,2-oxazol-5-yl)methanol

Structural Information

Molecular Formula

C₅H₆BrNO₃

SMILES

COC1=NOC(=C1Br)CO

InChI

InChI=1S/C5H6BrNO3/c1-9-5-4(6)3(2-8)10-7-5/h8H,2H2,1H3

InChIKey

FLVFDKSZINPXLH-UHFFFAOYSA-N

Compound name

(4-bromo-3-methoxy-1,2-oxazol-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.95311 Da
Monoisotopic Mass: 0.5
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	132.4
[M+Na]+	229.942328	145.8
[M-H]-	205.945834	137.5
[M+NH4]+	224.986933	153.9
[M+K]+	245.916268	137.3
[M+H-H2O]+	189.950370	132.8
[M+HCOO]-	251.951311	153.5
[M+CH3COO]-	265.966961	178.5
[M+Na-2H]-	227.927776	140.4
[M]+	206.95256142	154.2
[M]-	206.95365858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.