CID 69224982

868943-45-7

Structural Information

Molecular Formula

C₈H₁₆N₂O₃

SMILES

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

InChI

InChI=1S/C8H16N2O3/c1-8(2,3)12-7(11)10-4-6(5-10)13-9/h6H,4-5,9H2,1-3H3

InChIKey

XKVPICCSCUMOAE-UHFFFAOYSA-N

Compound name

tert-butyl 3-aminooxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 188.11609 Da
Monoisotopic Mass: 0.1
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]+	189.12337	143.9
[M+Na]+	211.10531	148.7
[M-H]-	187.10881	145.5
[M+NH4]+	206.14991	155.4
[M+K]+	227.07925	152.4
[M+H-H2O]+	171.11335	132.5
[M+HCOO]-	233.11429	162.6
[M+CH3COO]-	247.12994	186.7
[M+Na-2H]-	209.09076	147.3
[M]+	188.11554	152.7
[M]-	188.11664	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe