CID 12490571

2-chloro-4-methoxy-6-methylpyrimidine

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

CC1=CC(=NC(=N1)Cl)OC

InChI

InChI=1S/C6H7ClN2O/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3

InChIKey

HBGCZKKCKKDPOI-UHFFFAOYSA-N

Compound name

2-chloro-4-methoxy-6-methylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 158.02469 Da
Monoisotopic Mass: 1.9
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]+	159.031966	126.8
[M+Na]+	181.013908	138.1
[M-H]-	157.017414	128.2
[M+NH4]+	176.058513	146.4
[M+K]+	196.987848	135.4
[M+H-H2O]+	141.021950	120.8
[M+HCOO]-	203.022891	145.2
[M+CH3COO]-	217.038541	175.8
[M+Na-2H]-	178.999356	134.8
[M]+	158.02414142	130.6
[M]-	158.02523858	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe