CID 135538365

6-chloro-2,5-dimethylpyrimidin-4-ol

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

CC1=C(N=C(NC1=O)C)Cl

InChI

InChI=1S/C6H7ClN2O/c1-3-5(7)8-4(2)9-6(3)10/h1-2H3,(H,8,9,10)

InChIKey

ZBGUZQNUVSLDLM-UHFFFAOYSA-N

Compound name

4-chloro-2,5-dimethyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 158.02469 Da
Monoisotopic Mass: 0.5
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]+	159.03197	126.6
[M+Na]+	181.01391	138.7
[M-H]-	157.01741	127.1
[M+NH4]+	176.05851	145.9
[M+K]+	196.98785	134.5
[M+H-H2O]+	141.02195	121.3
[M+HCOO]-	203.02289	143.8
[M+CH3COO]-	217.03854	173.5
[M+Na-2H]-	178.99936	133.4
[M]+	158.02414	128.2
[M]-	158.02524	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe