CID 11480736

(4-chloro-3-methoxypyridin-2-yl)methanol

Structural Information

Molecular Formula

C₇H₈ClNO₂

SMILES

COC1=C(C=CN=C1CO)Cl

InChI

InChI=1S/C7H8ClNO2/c1-11-7-5(8)2-3-9-6(7)4-10/h2-3,10H,4H2,1H3

InChIKey

ISRRJUHDGVMYLE-UHFFFAOYSA-N

Compound name

(4-chloro-3-methoxy-2-pyridinyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 173.02435 Da
Monoisotopic Mass: 0.6
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]+	174.031626	130.4
[M+Na]+	196.013568	140.8
[M-H]-	172.017074	131.9
[M+NH4]+	191.058173	150.1
[M+K]+	211.987508	137.5
[M+H-H2O]+	156.021610	125.4
[M+HCOO]-	218.022551	148.7
[M+CH3COO]-	232.038201	175.4
[M+Na-2H]-	193.999016	137.5
[M]+	173.02380142	133.7
[M]-	173.02489858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe