CID 10583745

142253-56-3

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

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

InChI

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

InChIKey

HXRDRJKAEYHOBB-UHFFFAOYSA-N

Compound name

tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2184
Patents: 187.12085 Da
Monoisotopic Mass: 0.5
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	144.7
[M+Na]+	210.11007	148.9
[M+NH4]+	205.15467	146.7
[M+K]+	226.08401	147.7
[M-H]-	186.11357	140.1
[M+Na-2H]-	208.09552	144.4
[M]+	187.12030	142.5
[M]-	187.12140	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe