CID 53419975

Tert-butyl 2-(azetidin-3-yloxy)acetate hcl

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	144.4
[M+Na]+	210.11007	148.2
[M+NH4]+	205.15467	146.5
[M+K]+	226.08401	146.8
[M-H]-	186.11357	139.8
[M+Na-2H]-	208.09552	144.3
[M]+	187.12030	142.1
[M]-	187.12140	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe