CID 154699528

Ns00117291

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃

SMILES

CCC1(C(COC1=O)CC2=CN=CN2C)O

InChI

InChI=1S/C11H16N2O3/c1-3-11(15)8(6-16-10(11)14)4-9-5-12-7-13(9)2/h5,7-8,15H,3-4,6H2,1-2H3

InChIKey

CDYVNDYSMAKHRR-UHFFFAOYSA-N

Compound name

3-ethyl-3-hydroxy-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 224.11609 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]+	225.123366	147.3
[M+Na]+	247.105308	156.3
[M-H]-	223.108814	151.3
[M+NH4]+	242.149913	166.7
[M+K]+	263.079248	155.1
[M+H-H2O]+	207.113350	141.4
[M+HCOO]-	269.114291	167.1
[M+CH3COO]-	283.129941	185.1
[M+Na-2H]-	245.090756	149.5
[M]+	224.11554142	148.9
[M]-	224.11663858	148.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.