CID 10888167

Tert-butyl azetidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(C)(C)OC(=O)[C@@H]1CCN1

InChI

InChI=1S/C8H15NO2/c1-8(2,3)11-7(10)6-4-5-9-6/h6,9H,4-5H2,1-3H3/t6-/m0/s1

InChIKey

KHNFEQCEQIAFES-LURJTMIESA-N

Compound name

tert-butyl (2S)-azetidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 157.11028 Da
Monoisotopic Mass: 0.9
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]+	158.117556	136.3
[M+Na]+	180.099498	141.1
[M-H]-	156.103004	136.9
[M+NH4]+	175.144103	148.9
[M+K]+	196.073438	143.6
[M+H-H2O]+	140.107540	126.0
[M+HCOO]-	202.108481	153.2
[M+CH3COO]-	216.124131	177.6
[M+Na-2H]-	178.084946	140.8
[M]+	157.10973142	143.5
[M]-	157.11082858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe