CID 78067746

Tert-butyl 2-ethynylazetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CC(C)(C)OC(=O)N1CCC1C#C

InChI

InChI=1S/C10H15NO2/c1-5-8-6-7-11(8)9(12)13-10(2,3)4/h1,8H,6-7H2,2-4H3

InChIKey

KJAIWAAPVOYBFJ-UHFFFAOYSA-N

Compound name

tert-butyl 2-ethynylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 181.11028 Da
Monoisotopic Mass: 1.4
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]+	182.11756	141.3
[M+Na]+	204.09950	146.9
[M+NH4]+	199.14410	141.2
[M+K]+	220.07344	141.8
[M-H]-	180.10300	130.5
[M+Na-2H]-	202.08495	139.8
[M]+	181.10973	137.1
[M]-	181.11083	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe