CID 10965279

114108-86-0

Structural Information

Molecular Formula

C₇H₉ClN₂O₂

SMILES

COC1=CC(=NC(=N1)CCl)OC

InChI

InChI=1S/C7H9ClN2O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,4H2,1-2H3

InChIKey

BWCCPOQIMGGGQX-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-4,6-dimethoxypyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 188.03525 Da
Monoisotopic Mass: 1.2
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]+	189.04253	135.0
[M+Na]+	211.02447	149.6
[M+NH4]+	206.06907	143.0
[M+K]+	226.99841	143.0
[M-H]-	187.02797	135.9
[M+Na-2H]-	209.00992	142.2
[M]+	188.03470	137.6
[M]-	188.03580	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe