CID 124250989

1884303-05-2

Structural Information

Molecular Formula

C₁₀H₁₇NO₅

SMILES

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

InChI

InChI=1S/C10H17NO5/c1-9(2,3)16-8(13)11-5-10(14,6-11)7(12)15-4/h14H,5-6H2,1-4H3

InChIKey

WSGWPDZGNJTWIB-UHFFFAOYSA-N

Compound name

1-O-tert-butyl 3-O-methyl 3-hydroxyazetidine-1,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 231.11067 Da
Monoisotopic Mass: 0.0
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]+	232.11795	152.9
[M+Na]+	254.09989	157.9
[M-H]-	230.10339	153.8
[M+NH4]+	249.14449	164.4
[M+K]+	270.07383	161.8
[M+H-H2O]+	214.10793	143.5
[M+HCOO]-	276.10887	168.7
[M+CH3COO]-	290.12452	188.9
[M+Na-2H]-	252.08534	156.0
[M]+	231.11012	164.2
[M]-	231.11122	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe