CID 165481613

2803861-15-4

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₂

SMILES

CCOC(=O)CC1(CNC1)N2C=CN=C2

InChI

InChI=1S/C10H15N3O2/c1-2-15-9(14)5-10(6-12-7-10)13-4-3-11-8-13/h3-4,8,12H,2,5-7H2,1H3

InChIKey

DKUXDLMBXZJPPK-UHFFFAOYSA-N

Compound name

ethyl 2-(3-imidazol-1-ylazetidin-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.11642 Da
Monoisotopic Mass: -0.7
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]+	210.123696	146.7
[M+Na]+	232.105638	152.0
[M-H]-	208.109144	147.7
[M+NH4]+	227.150243	157.6
[M+K]+	248.079578	153.0
[M+H-H2O]+	192.113680	134.1
[M+HCOO]-	254.114621	164.0
[M+CH3COO]-	268.130271	184.4
[M+Na-2H]-	230.091086	150.6
[M]+	209.11587142	154.6
[M]-	209.11696858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.