CID 44607627

610791-05-4

Structural Information

Molecular Formula

C₁₀H₁₇NO₄

SMILES

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

InChI

InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-5-7(6-11)8(12)14-4/h7H,5-6H2,1-4H3

InChIKey

SECFRXGVLMVUPD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 368
Patents: 215.11575 Da
Monoisotopic Mass: 0.7
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]+	216.12303	151.5
[M+Na]+	238.10497	155.3
[M+NH4]+	233.14957	152.7
[M+K]+	254.07891	154.7
[M-H]-	214.10847	146.4
[M+Na-2H]-	236.09042	150.5
[M]+	215.11520	149.0
[M]-	215.11630	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe