CID 60964531

1-[(oxolan-3-yl)methyl]-1h-imidazole

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1COCC1CN2C=CN=C2

InChI

InChI=1S/C8H12N2O/c1-4-11-6-8(1)5-10-3-2-9-7-10/h2-3,7-8H,1,4-6H2

InChIKey

KVKKBNYHDZXQJS-UHFFFAOYSA-N

Compound name

1-(oxolan-3-ylmethyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 152.09496 Da
Monoisotopic Mass: 0.2
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	130.6
[M+Na]+	175.08418	137.5
[M-H]-	151.08768	134.9
[M+NH4]+	170.12878	150.8
[M+K]+	191.05812	137.7
[M+H-H2O]+	135.09222	123.2
[M+HCOO]-	197.09316	152.3
[M+CH3COO]-	211.10881	144.2
[M+Na-2H]-	173.06963	135.2
[M]+	152.09441	129.3
[M]-	152.09551	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe