CID 12564886

71371-03-4

Structural Information

Molecular Formula

C₆H₇ClN₂O₂

SMILES

C1=C(N=CN=C1Cl)OCCO

InChI

InChI=1S/C6H7ClN2O2/c7-5-3-6(9-4-8-5)11-2-1-10/h3-4,10H,1-2H2

InChIKey

LOOJQJLUVMRPHE-UHFFFAOYSA-N

Compound name

2-(6-chloropyrimidin-4-yl)oxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 174.0196 Da
Monoisotopic Mass: 0.8
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]+	175.02688	130.4
[M+Na]+	197.00882	140.2
[M-H]-	173.01232	130.1
[M+NH4]+	192.05342	148.3
[M+K]+	212.98276	137.1
[M+H-H2O]+	157.01686	124.1
[M+HCOO]-	219.01780	147.6
[M+CH3COO]-	233.03345	174.0
[M+Na-2H]-	194.99427	138.7
[M]+	174.01905	133.3
[M]-	174.02015	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe