CID 80949381

4-chloro-2-cyclopropyl-6-methoxypyrimidine

Structural Information

Molecular Formula

C₈H₉ClN₂O

SMILES

COC1=CC(=NC(=N1)C2CC2)Cl

InChI

InChI=1S/C8H9ClN2O/c1-12-7-4-6(9)10-8(11-7)5-2-3-5/h4-5H,2-3H2,1H3

InChIKey

ZCGKRSQYMJSBOX-UHFFFAOYSA-N

Compound name

4-chloro-2-cyclopropyl-6-methoxypyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 184.04034 Da
Monoisotopic Mass: 2.0
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	136.7
[M+Na]+	207.02956	152.9
[M+NH4]+	202.07416	146.1
[M+K]+	223.00350	147.2
[M-H]-	183.03306	146.1
[M+Na-2H]-	205.01501	147.5
[M]+	184.03979	143.1
[M]-	184.04089	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe