CID 962521

118482-14-7

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

C=CCN1C2=CC=CC=C2N=C1C=O

InChI

InChI=1S/C11H10N2O/c1-2-7-13-10-6-4-3-5-9(10)12-11(13)8-14/h2-6,8H,1,7H2

InChIKey

OHNUVSLWAQTFNH-UHFFFAOYSA-N

Compound name

1-prop-2-enylbenzimidazole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 186.07932 Da
Monoisotopic Mass: 2.0
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]+	187.08660	137.9
[M+Na]+	209.06854	149.4
[M-H]-	185.07204	140.5
[M+NH4]+	204.11314	158.3
[M+K]+	225.04248	145.2
[M+H-H2O]+	169.07658	130.9
[M+HCOO]-	231.07752	161.9
[M+CH3COO]-	245.09317	182.4
[M+Na-2H]-	207.05399	145.1
[M]+	186.07877	141.3
[M]-	186.07987	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe