CID 53419975

2624417-49-6

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CC(C)(C)OC(=O)COC1CNC1

InChI

InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)6-12-7-4-10-5-7/h7,10H,4-6H2,1-3H3

InChIKey

RNKFZOZDIOOBEB-UHFFFAOYSA-N

Compound name

tert-butyl 2-(azetidin-3-yloxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 187.12085 Da
Monoisotopic Mass: 0.4
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]+	188.12813	143.4
[M+Na]+	210.11007	147.5
[M-H]-	186.11357	143.7
[M+NH4]+	205.15467	154.6
[M+K]+	226.08401	150.3
[M+H-H2O]+	170.11811	132.5
[M+HCOO]-	232.11905	160.0
[M+CH3COO]-	246.13470	182.5
[M+Na-2H]-	208.09552	147.4
[M]+	187.12030	152.3
[M]-	187.12140	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe