CID 155822610

2503205-11-4

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

COC(=O)C1(CNC1)CCC=C

InChI

InChI=1S/C9H15NO2/c1-3-4-5-9(6-10-7-9)8(11)12-2/h3,10H,1,4-7H2,2H3

InChIKey

HYVLDQHWBUKOMW-UHFFFAOYSA-N

Compound name

methyl 3-but-3-enylazetidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.11028 Da
Monoisotopic Mass: 0.7
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]+	170.11756	141.0
[M+Na]+	192.09950	145.7
[M+NH4]+	187.14410	144.9
[M+K]+	208.07344	140.9
[M-H]-	168.10300	137.2
[M+Na-2H]-	190.08495	142.9
[M]+	169.10973	139.2
[M]-	169.11083	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.