CID 22243050

429669-07-8

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CC(C1)OC

InChI

InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10-5-7(6-10)12-4/h7H,5-6H2,1-4H3

InChIKey

ZENIBVFXWKRVMK-UHFFFAOYSA-N

Compound name

tert-butyl 3-methoxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 186
Patents: 187.12085 Da
Monoisotopic Mass: 0.8
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]+	188.128126	141.5
[M+Na]+	210.110068	147.1
[M-H]-	186.113574	143.7
[M+NH4]+	205.154673	153.9
[M+K]+	226.084008	150.8
[M+H-H2O]+	170.118110	131.0
[M+HCOO]-	232.119051	159.8
[M+CH3COO]-	246.134701	185.5
[M+Na-2H]-	208.095516	145.6
[M]+	187.12030142	152.7
[M]-	187.12139858	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe