CID 84046720

2416237-50-6

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

COC(=O)CCC1CNC1

InChI

InChI=1S/C7H13NO2/c1-10-7(9)3-2-6-4-8-5-6/h6,8H,2-5H2,1H3

InChIKey

WYTTYBVDLXBTMU-UHFFFAOYSA-N

Compound name

methyl 3-(azetidin-3-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 143.09464 Da
Monoisotopic Mass: 0.0
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]+	144.101916	130.7
[M+Na]+	166.083858	135.4
[M-H]-	142.087364	131.1
[M+NH4]+	161.128463	143.6
[M+K]+	182.057798	137.7
[M+H-H2O]+	126.091900	119.8
[M+HCOO]-	188.092841	149.4
[M+CH3COO]-	202.108491	175.0
[M+Na-2H]-	164.069306	135.2
[M]+	143.09409142	138.1
[M]-	143.09518858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.