CID 25260281

1126650-66-5

Structural Information

Molecular Formula

C₉H₁₆FNO₃

SMILES

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

InChI

InChI=1S/C9H16FNO3/c1-8(2,3)14-7(13)11-4-9(10,5-11)6-12/h12H,4-6H2,1-3H3

InChIKey

BONSKTIHNARTGJ-UHFFFAOYSA-N

Compound name

tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 218
Patents: 205.11142 Da
Monoisotopic Mass: 0.4
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]+	206.11870	150.8
[M+Na]+	228.10064	154.2
[M+NH4]+	223.14524	153.4
[M+K]+	244.07458	151.2
[M-H]-	204.10414	144.7
[M+Na-2H]-	226.08609	151.1
[M]+	205.11087	148.2
[M]-	205.11197	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe