CID 54349237

Tert-butyl 3-ethynylazetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

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

InChI

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

InChIKey

UENGYBYGCXKNRF-UHFFFAOYSA-N

Compound name

tert-butyl 3-ethynylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 425
Patents: 181.11028 Da
Monoisotopic Mass: 1.3
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	136.6
[M+Na]+	204.09950	143.9
[M-H]-	180.10300	137.7
[M+NH4]+	199.14410	147.7
[M+K]+	220.07344	146.8
[M+H-H2O]+	164.10754	120.9
[M+HCOO]-	226.10848	149.4
[M+CH3COO]-	240.12413	192.6
[M+Na-2H]-	202.08495	139.8
[M]+	181.10973	139.9
[M]-	181.11083	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe