CID 60758006

1-(1-methyl-1h-imidazol-2-yl)propan-2-one

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CC(=O)CC1=NC=CN1C

InChI

InChI=1S/C7H10N2O/c1-6(10)5-7-8-3-4-9(7)2/h3-4H,5H2,1-2H3

InChIKey

UKUJEYITNZZVJZ-UHFFFAOYSA-N

Compound name

1-(1-methylimidazol-2-yl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 138.07932 Da
Monoisotopic Mass: -0.3
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]+	139.086596	127.3
[M+Na]+	161.068538	136.5
[M-H]-	137.072044	128.6
[M+NH4]+	156.113143	148.4
[M+K]+	177.042478	135.6
[M+H-H2O]+	121.076580	120.7
[M+HCOO]-	183.077521	150.1
[M+CH3COO]-	197.093171	173.9
[M+Na-2H]-	159.053986	132.3
[M]+	138.07877142	128.7
[M]-	138.07986858	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe