CID 62338309

2-chloro-4-isopropoxypyrimidine

Structural Information

Molecular Formula

C₇H₉ClN₂O

SMILES

CC(C)OC1=NC(=NC=C1)Cl

InChI

InChI=1S/C7H9ClN2O/c1-5(2)11-6-3-4-9-7(8)10-6/h3-5H,1-2H3

InChIKey

NWKPCTJWFJSBAY-UHFFFAOYSA-N

Compound name

2-chloro-4-propan-2-yloxypyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 172.04034 Da
Monoisotopic Mass: 2.3
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]+	173.04762	132.2
[M+Na]+	195.02956	146.5
[M+NH4]+	190.07416	140.7
[M+K]+	211.00350	140.1
[M-H]-	171.03306	133.4
[M+Na-2H]-	193.01501	139.8
[M]+	172.03979	134.9
[M]-	172.04089	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe