CID 962544

1-ethyl-1h-1,3-benzodiazole-2-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CCN1C2=CC=CC=C2N=C1C=O

InChI

InChI=1S/C10H10N2O/c1-2-12-9-6-4-3-5-8(9)11-10(12)7-13/h3-7H,2H2,1H3

InChIKey

ZIOUQTZLLSBGDM-UHFFFAOYSA-N

Compound name

1-ethylbenzimidazole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 174.07932 Da
Monoisotopic Mass: 1.5
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]+	175.086596	134.3
[M+Na]+	197.068538	145.9
[M-H]-	173.072044	137.1
[M+NH4]+	192.113143	155.4
[M+K]+	213.042478	142.6
[M+H-H2O]+	157.076580	127.4
[M+HCOO]-	219.077521	158.5
[M+CH3COO]-	233.093171	180.3
[M+Na-2H]-	195.053986	142.1
[M]+	174.07877142	138.1
[M]-	174.07986858	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe