CID 59605306

1257293-79-0

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

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

InChI

InChI=1S/C11H21NO3/c1-10(2,3)15-9(13)12-6-8(7-12)11(4,5)14/h8,14H,6-7H2,1-5H3

InChIKey

GMOIZAKBLSIACP-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-hydroxypropan-2-yl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 215.15215 Da
Monoisotopic Mass: 1.1
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]+	216.15943	152.6
[M+Na]+	238.14137	157.3
[M-H]-	214.14487	153.4
[M+NH4]+	233.18597	163.3
[M+K]+	254.11531	160.1
[M+H-H2O]+	198.14941	142.5
[M+HCOO]-	260.15035	167.1
[M+CH3COO]-	274.16600	189.3
[M+Na-2H]-	236.12682	155.8
[M]+	215.15160	162.1
[M]-	215.15270	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe