CID 399713

Nsc710717

Structural Information

Molecular Formula

C₁₃H₁₄N₂O

SMILES

CC1=C2C(=CC=C1)N(C(=N2)C=C)OCC=C

InChI

InChI=1S/C13H14N2O/c1-4-9-16-15-11-8-6-7-10(3)13(11)14-12(15)5-2/h4-8H,1-2,9H2,3H3

InChIKey

NVKQYGYOBRMEQI-UHFFFAOYSA-N

Compound name

2-ethenyl-4-methyl-1-prop-2-enoxybenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.11061 Da
Monoisotopic Mass: 3.7
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]+	215.11789	147.0
[M+Na]+	237.09983	158.6
[M-H]-	213.10333	149.7
[M+NH4]+	232.14443	166.7
[M+K]+	253.07377	153.9
[M+H-H2O]+	197.10787	139.9
[M+HCOO]-	259.10881	170.4
[M+CH3COO]-	273.12446	189.6
[M+Na-2H]-	235.08528	152.5
[M]+	214.11006	151.6
[M]-	214.11116	151.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.