CID 21044300

1026796-78-0

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

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

InChI

InChI=1S/C10H17NO2/c1-5-8-6-11(7-8)9(12)13-10(2,3)4/h5,8H,1,6-7H2,2-4H3

InChIKey

YASOUSGMWNLROI-UHFFFAOYSA-N

Compound name

tert-butyl 3-ethenylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 183.12593 Da
Monoisotopic Mass: 1.8
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]+	184.133206	142.5
[M+Na]+	206.115148	148.2
[M-H]-	182.118654	144.6
[M+NH4]+	201.159753	155.1
[M+K]+	222.089088	150.5
[M+H-H2O]+	166.123190	132.1
[M+HCOO]-	228.124131	160.4
[M+CH3COO]-	242.139781	185.6
[M+Na-2H]-	204.100596	146.0
[M]+	183.12538142	152.0
[M]-	183.12647858	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe