CID 198331

54700-19-5

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CCC1CN2C3=CC=CC=C3N=C2O1

InChI

InChI=1S/C11H12N2O/c1-2-8-7-13-10-6-4-3-5-9(10)12-11(13)14-8/h3-6,8H,2,7H2,1H3

InChIKey

TUUXUMGGHRZSML-UHFFFAOYSA-N

Compound name

2-ethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.09496 Da
Monoisotopic Mass: 2.4
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]+	189.10224	138.1
[M+Na]+	211.08418	149.4
[M-H]-	187.08768	142.4
[M+NH4]+	206.12878	160.1
[M+K]+	227.05812	147.2
[M+H-H2O]+	171.09222	131.9
[M+HCOO]-	233.09316	160.1
[M+CH3COO]-	247.10881	152.7
[M+Na-2H]-	209.06963	144.8
[M]+	188.09441	141.8
[M]-	188.09551	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe