CID 15256325

158602-35-8

Structural Information

Molecular Formula

C₁₂H₂₁NO₄

SMILES

CCOC(=O)CC1CN(C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H21NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3

InChIKey

HTYZZXUWPRCEIN-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 243.14706 Da
Monoisotopic Mass: 1.3
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]+	244.15434	160.1
[M+Na]+	266.13628	163.5
[M+NH4]+	261.18088	161.1
[M+K]+	282.11022	162.5
[M-H]-	242.13978	155.0
[M+Na-2H]-	264.12173	158.7
[M]+	243.14651	157.6
[M]-	243.14761	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe