CID 13884815

92311-37-0

Structural Information

Molecular Formula

C₆H₈ClN₃O

SMILES

COC1=NC(=NC(=C1)CCl)N

InChI

InChI=1S/C6H8ClN3O/c1-11-5-2-4(3-7)9-6(8)10-5/h2H,3H2,1H3,(H2,8,9,10)

InChIKey

FDOYEXXNKXTTKX-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-6-methoxypyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 173.03558 Da
Monoisotopic Mass: 0.6
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]+	174.04286	132.4
[M+Na]+	196.02480	142.8
[M-H]-	172.02830	133.3
[M+NH4]+	191.06940	150.8
[M+K]+	211.99874	139.5
[M+H-H2O]+	156.03284	126.0
[M+HCOO]-	218.03378	151.3
[M+CH3COO]-	232.04943	179.9
[M+Na-2H]-	194.01025	139.6
[M]+	173.03503	134.4
[M]-	173.03613	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe