CID 57512862

(2,6-dichloro-4-methylpyridin-3-yl)methanol

Structural Information

Molecular Formula

C₇H₇Cl₂NO

SMILES

CC1=CC(=NC(=C1CO)Cl)Cl

InChI

InChI=1S/C7H7Cl2NO/c1-4-2-6(8)10-7(9)5(4)3-11/h2,11H,3H2,1H3

InChIKey

UVMXJOJDQBRPOZ-UHFFFAOYSA-N

Compound name

(2,6-dichloro-4-methylpyridin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 190.99046 Da
Monoisotopic Mass: 2.3
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]+	191.99774	133.6
[M+Na]+	213.97968	149.1
[M+NH4]+	209.02428	142.7
[M+K]+	229.95362	141.6
[M-H]-	189.98318	135.2
[M+Na-2H]-	211.96513	140.8
[M]+	190.98991	136.9
[M]-	190.99101	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe