CID 55288359

Ethyl 3-methylazetidine-3-carboxylate

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCOC(=O)C1(CNC1)C

InChI

InChI=1S/C7H13NO2/c1-3-10-6(9)7(2)4-8-5-7/h8H,3-5H2,1-2H3

InChIKey

VAJSPSBSLYLXJD-UHFFFAOYSA-N

Compound name

ethyl 3-methylazetidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 143.09464 Da
Monoisotopic Mass: 0.2
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]+	144.10192	132.5
[M+Na]+	166.08386	137.6
[M+NH4]+	161.12846	137.0
[M+K]+	182.05780	133.4
[M-H]-	142.08736	129.1
[M+Na-2H]-	164.06931	135.0
[M]+	143.09409	130.9
[M]-	143.09519	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe