CID 21028287

Schembl3402379

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC1=C(N(C(=N1)C(=O)C)C)C

InChI

InChI=1S/C8H12N2O/c1-5-6(2)10(4)8(9-5)7(3)11/h1-4H3

InChIKey

AGLJRZFEVAQVBX-UHFFFAOYSA-N

Compound name

1-(1,4,5-trimethylimidazol-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 152.09496 Da
Monoisotopic Mass: 0.8
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]+	153.10224	130.4
[M+Na]+	175.08418	141.1
[M-H]-	151.08768	132.4
[M+NH4]+	170.12878	151.6
[M+K]+	191.05812	139.9
[M+H-H2O]+	135.09222	124.4
[M+HCOO]-	197.09316	152.9
[M+CH3COO]-	211.10881	179.2
[M+Na-2H]-	173.06963	133.6
[M]+	152.09441	133.0
[M]-	152.09551	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe