CID 126580665

2107558-00-7

Structural Information

Molecular Formula

C₁₂H₂₁NO₄

SMILES

CC(C)(C)OC(=O)N1CC(C1)CCC(=O)OC

InChI

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

InChIKey

AVRSZMQRNHGLIS-UHFFFAOYSA-N

Compound name

tert-butyl 3-(3-methoxy-3-oxopropyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
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

literature stripe

Patent stripe

patents stripe