CID 61279568

4-chloro-6-(cyclopropylmethoxy)pyrimidine

Structural Information

Molecular Formula

C₈H₉ClN₂O

SMILES

C1CC1COC2=CC(=NC=N2)Cl

InChI

InChI=1S/C8H9ClN2O/c9-7-3-8(11-5-10-7)12-4-6-1-2-6/h3,5-6H,1-2,4H2

InChIKey

JNNBMKRJHQQLMC-UHFFFAOYSA-N

Compound name

4-chloro-6-(cyclopropylmethoxy)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 184.04034 Da
Monoisotopic Mass: 2.2
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]+	185.04762	137.1
[M+Na]+	207.02956	152.9
[M+NH4]+	202.07416	146.5
[M+K]+	223.00350	147.0
[M-H]-	183.03306	146.5
[M+Na-2H]-	205.01501	148.1
[M]+	184.03979	143.4
[M]-	184.04089	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe