CID 132327628

2126161-88-2

Structural Information

Molecular Formula

C₁₀H₁₄FNO₂

SMILES

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

InChI

InChI=1S/C10H14FNO2/c1-5-10(11)6-12(7-10)8(13)14-9(2,3)4/h1H,6-7H2,2-4H3

InChIKey

LDNGEJXRGLIRCS-UHFFFAOYSA-N

Compound name

tert-butyl 3-ethynyl-3-fluoroazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 199.10086 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]+	200.10814	139.4
[M+Na]+	222.09008	147.6
[M-H]-	198.09358	139.7
[M+NH4]+	217.13468	151.7
[M+K]+	238.06402	149.8
[M+H-H2O]+	182.09812	124.3
[M+HCOO]-	244.09906	151.4
[M+CH3COO]-	258.11471	194.6
[M+Na-2H]-	220.07553	143.1
[M]+	199.10031	142.0
[M]-	199.10141	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe