CID 18521794

223785-73-7

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CC1=C(N=CN1C)C(=O)C

InChI

InChI=1S/C7H10N2O/c1-5-7(6(2)10)8-4-9(5)3/h4H,1-3H3

InChIKey

XMHNCQLMSVKHEH-UHFFFAOYSA-N

Compound name

1-(1,5-dimethylimidazol-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 138.07932 Da
Monoisotopic Mass: 0.4
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]+	139.08660	126.6
[M+Na]+	161.06854	136.7
[M-H]-	137.07204	128.3
[M+NH4]+	156.11314	148.0
[M+K]+	177.04248	135.8
[M+H-H2O]+	121.07658	120.3
[M+HCOO]-	183.07752	149.4
[M+CH3COO]-	197.09317	175.0
[M+Na-2H]-	159.05399	130.9
[M]+	138.07877	128.4
[M]-	138.07987	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe