CID 1519404

1-boc-3-azetidinone

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

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

InChI

InChI=1S/C8H13NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h4-5H2,1-3H3

InChIKey

VMKIXWAFFVLJCK-UHFFFAOYSA-N

Compound name

tert-butyl 3-oxoazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3126
Patents: 171.08954 Da
Monoisotopic Mass: 0.8
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]+	172.09682	138.9
[M+Na]+	194.07876	143.9
[M+NH4]+	189.12336	141.2
[M+K]+	210.05270	142.5
[M-H]-	170.08226	134.6
[M+Na-2H]-	192.06421	139.3
[M]+	171.08899	136.9
[M]-	171.09009	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe