CID 86662936

1245506-62-0

Structural Information

Molecular Formula

C₅H₅ClN₂O

SMILES

CC1=NC(=NC=C1O)Cl

InChI

InChI=1S/C5H5ClN2O/c1-3-4(9)2-7-5(6)8-3/h2,9H,1H3

InChIKey

WGAAADFJSILTKG-UHFFFAOYSA-N

Compound name

2-chloro-4-methylpyrimidin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 144.00903 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]+	145.01631	123.0
[M+Na]+	166.99825	134.3
[M-H]-	143.00175	123.2
[M+NH4]+	162.04285	142.5
[M+K]+	182.97219	130.9
[M+H-H2O]+	127.00629	117.5
[M+HCOO]-	189.00723	140.3
[M+CH3COO]-	203.02288	170.1
[M+Na-2H]-	164.98370	131.1
[M]+	144.00848	124.5
[M]-	144.00958	124.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe