CID 55280744

1207175-75-4

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

CCOC(=O)CC1(COC1)CN

InChI

InChI=1S/C8H15NO3/c1-2-12-7(10)3-8(4-9)5-11-6-8/h2-6,9H2,1H3

InChIKey

WFUSHFQXCHYDIH-UHFFFAOYSA-N

Compound name

ethyl 2-[3-(aminomethyl)oxetan-3-yl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 173.1052 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]+	174.11248	140.9
[M+Na]+	196.09442	144.9
[M+NH4]+	191.13902	145.0
[M+K]+	212.06836	141.2
[M-H]-	172.09792	139.5
[M+Na-2H]-	194.07987	142.5
[M]+	173.10465	139.7
[M]-	173.10575	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe