CID 388065

Nsc682530

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

C1CCOC(C1)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C12H14N2O/c1-2-6-10-9(5-1)13-12(14-10)11-7-3-4-8-15-11/h1-2,5-6,11H,3-4,7-8H2,(H,13,14)

InChIKey

HVNSCLHOKBTGEE-UHFFFAOYSA-N

Compound name

2-(oxan-2-yl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 202.11061 Da
Monoisotopic Mass: 2.1
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]+	203.11789	142.2
[M+Na]+	225.09983	149.7
[M-H]-	201.10333	146.1
[M+NH4]+	220.14443	159.2
[M+K]+	241.07377	146.4
[M+H-H2O]+	185.10787	134.2
[M+HCOO]-	247.10881	160.2
[M+CH3COO]-	261.12446	154.4
[M+Na-2H]-	223.08528	149.0
[M]+	202.11006	138.9
[M]-	202.11116	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe