CID 11205910

147621-21-4

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(C)(C)OC(=O)N1CCC1

InChI

InChI=1S/C8H15NO2/c1-8(2,3)11-7(10)9-5-4-6-9/h4-6H2,1-3H3

InChIKey

QUERMGFVJPRMJL-UHFFFAOYSA-N

Compound name

tert-butyl azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1828
Patents: 157.11028 Da
Monoisotopic Mass: 1.2
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]+	158.11756	134.6
[M+Na]+	180.09950	140.0
[M-H]-	156.10300	136.7
[M+NH4]+	175.14410	148.1
[M+K]+	196.07344	143.4
[M+H-H2O]+	140.10754	124.3
[M+HCOO]-	202.10848	153.1
[M+CH3COO]-	216.12413	179.5
[M+Na-2H]-	178.08495	139.8
[M]+	157.10973	143.7
[M]-	157.11083	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe