CID 12485778

21815-22-5

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CC1(CC2=C(C(=O)C1)N=CN2)C

InChI

InChI=1S/C9H12N2O/c1-9(2)3-6-8(7(12)4-9)11-5-10-6/h5H,3-4H2,1-2H3,(H,10,11)

InChIKey

SXZWPAQERHHKMD-UHFFFAOYSA-N

Compound name

6,6-dimethyl-5,7-dihydro-1H-benzimidazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 164.09496 Da
Monoisotopic Mass: 1.4
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]+	165.10224	135.5
[M+Na]+	187.08418	147.1
[M+NH4]+	182.12878	145.3
[M+K]+	203.05812	141.1
[M-H]-	163.08768	135.9
[M+Na-2H]-	185.06963	141.0
[M]+	164.09441	137.2
[M]-	164.09551	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe