CID 55301277

71058-61-2

Structural Information

Molecular Formula

C₅H₆ClNO₂

SMILES

C1=C(ON=C1CCl)CO

InChI

InChI=1S/C5H6ClNO2/c6-2-4-1-5(3-8)9-7-4/h1,8H,2-3H2

InChIKey

LUVJOTYECLBJJC-UHFFFAOYSA-N

Compound name

[3-(chloromethyl)-1,2-oxazol-5-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.00871 Da
Monoisotopic Mass: -0.1
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]+	148.015986	124.7
[M+Na]+	169.997928	134.9
[M-H]-	146.001434	126.5
[M+NH4]+	165.042533	145.6
[M+K]+	185.971868	133.1
[M+H-H2O]+	130.005970	119.9
[M+HCOO]-	192.006911	143.3
[M+CH3COO]-	206.022561	168.3
[M+Na-2H]-	167.983376	131.8
[M]+	147.00816142	128.0
[M]-	147.00925858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.