CID 231553

3097-21-0

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

CN1C2=CC=CC=C2N(C1=O)C

InChI

InChI=1S/C9H10N2O/c1-10-7-5-3-4-6-8(7)11(2)9(10)12/h3-6H,1-2H3

InChIKey

NOJXCBIUEXCLMZ-UHFFFAOYSA-N

Compound name

1,3-dimethylbenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 353
Patents: 162.07932 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]+	163.08660	130.7
[M+Na]+	185.06854	145.9
[M+NH4]+	180.11314	139.6
[M+K]+	201.04248	140.8
[M-H]-	161.07204	132.3
[M+Na-2H]-	183.05399	137.8
[M]+	162.07877	133.4
[M]-	162.07987	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe