CID 100278

52099-72-6

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CC(=C)N1C2=CC=CC=C2NC1=O

InChI

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

InChIKey

XFASJWLBXHWUMW-UHFFFAOYSA-N

Compound name

3-prop-1-en-2-yl-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 285
Patents: 174.07932 Da
Monoisotopic Mass: 1.6
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]+	175.08660	135.3
[M+Na]+	197.06854	148.9
[M+NH4]+	192.11314	143.2
[M+K]+	213.04248	144.5
[M-H]-	173.07204	135.8
[M+Na-2H]-	195.05399	141.2
[M]+	174.07877	137.2
[M]-	174.07987	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe