CID 573558

2770359-54-9

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CCCCC(=O)C1=CN=CN1

InChI

InChI=1S/C8H12N2O/c1-2-3-4-8(11)7-5-9-6-10-7/h5-6H,2-4H2,1H3,(H,9,10)

InChIKey

CJOFPRAZWGYALB-UHFFFAOYSA-N

Compound name

1-(1H-imidazol-5-yl)pentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 152.09496 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]+	153.10224	133.4
[M+Na]+	175.08418	140.7
[M-H]-	151.08768	132.7
[M+NH4]+	170.12878	152.8
[M+K]+	191.05812	138.7
[M+H-H2O]+	135.09222	126.4
[M+HCOO]-	197.09316	154.3
[M+CH3COO]-	211.10881	173.1
[M+Na-2H]-	173.06963	137.9
[M]+	152.09441	132.9
[M]-	152.09551	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe