CID 55280628

Ethyl 2-(3-aminooxetan-3-yl)acetate hydrochloride

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CCOC(=O)CC1(COC1)N

InChI

InChI=1S/C7H13NO3/c1-2-11-6(9)3-7(8)4-10-5-7/h2-5,8H2,1H3

InChIKey

IOZAQTKXFQIWIH-UHFFFAOYSA-N

Compound name

ethyl 2-(3-aminooxetan-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 159.08954 Da
Monoisotopic Mass: -0.5
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]+	160.09682	136.5
[M+Na]+	182.07876	140.6
[M+NH4]+	177.12336	140.8
[M+K]+	198.05270	137.2
[M-H]-	158.08226	135.1
[M+Na-2H]-	180.06421	138.3
[M]+	159.08899	135.3
[M]-	159.09009	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe