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: 21
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]+	182.117556	136.6
[M+Na]+	204.099498	143.9
[M-H]-	180.103004	137.7
[M+NH4]+	199.144103	147.7
[M+K]+	220.073438	146.8
[M+H-H2O]+	164.107540	120.9
[M+HCOO]-	226.108481	149.4
[M+CH3COO]-	240.124131	192.6
[M+Na-2H]-	202.084946	139.8
[M]+	181.10973142	139.9
[M]-	181.11082858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe