CID 44590806

1145670-41-2

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O

SMILES

CC(C1=NC2=C(N1C)C=C(C=C2)Cl)O

InChI

InChI=1S/C10H11ClN2O/c1-6(14)10-12-8-4-3-7(11)5-9(8)13(10)2/h3-6,14H,1-2H3

InChIKey

CSUQSNUYNQSETD-UHFFFAOYSA-N

Compound name

1-(6-chloro-1-methylbenzimidazol-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 210.05598 Da
Monoisotopic Mass: 1.6
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]+	211.06326	142.4
[M+Na]+	233.04520	154.6
[M-H]-	209.04870	144.0
[M+NH4]+	228.08980	162.4
[M+K]+	249.01914	149.7
[M+H-H2O]+	193.05324	136.6
[M+HCOO]-	255.05418	159.1
[M+CH3COO]-	269.06983	184.4
[M+Na-2H]-	231.03065	147.3
[M]+	210.05543	146.7
[M]-	210.05653	146.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.