CID 388066

Nsc682531

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

C1CCOC(C1)N2C=NC3=CC=CC=C32

InChI

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

InChIKey

QTXPGEFPJIMPQF-UHFFFAOYSA-N

Compound name

1-(oxan-2-yl)benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 202.11061 Da
Monoisotopic Mass: 2.2
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]+	203.11789	142.0
[M+Na]+	225.09983	149.9
[M-H]-	201.10333	147.2
[M+NH4]+	220.14443	159.6
[M+K]+	241.07377	147.4
[M+H-H2O]+	185.10787	133.6
[M+HCOO]-	247.10881	161.4
[M+CH3COO]-	261.12446	154.7
[M+Na-2H]-	223.08528	149.1
[M]+	202.11006	140.4
[M]-	202.11116	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe