CID 15072057

118468-99-8

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

COCCN1C2=CC=CC=C2N=C1C=O

InChI

InChI=1S/C11H12N2O2/c1-15-7-6-13-10-5-3-2-4-9(10)12-11(13)8-14/h2-5,8H,6-7H2,1H3

InChIKey

DWFAULYVAZKKPX-UHFFFAOYSA-N

Compound name

1-(2-methoxyethyl)benzimidazole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 204.08987 Da
Monoisotopic Mass: 1.0
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]+	205.09715	143.0
[M+Na]+	227.07909	156.9
[M+NH4]+	222.12369	150.9
[M+K]+	243.05303	151.7
[M-H]-	203.08259	143.9
[M+Na-2H]-	225.06454	149.3
[M]+	204.08932	145.2
[M]-	204.09042	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe