CID 11171653

181212-90-8

Structural Information

Molecular Formula

C₉H₁₅NO₄

SMILES

CC(C)(C)OC(=O)N1CC1C(=O)OC

InChI

InChI=1S/C9H15NO4/c1-9(2,3)14-8(12)10-5-6(10)7(11)13-4/h6H,5H2,1-4H3

InChIKey

OHKDZMSOHBQKDL-UHFFFAOYSA-N

Compound name

1-O-tert-butyl 2-O-methyl aziridine-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 201.10011 Da
Monoisotopic Mass: 0.8
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]+	202.10739	146.7
[M+Na]+	224.08933	156.8
[M+NH4]+	219.13393	152.7
[M+K]+	240.06327	155.7
[M-H]-	200.09283	151.3
[M+Na-2H]-	222.07478	151.3
[M]+	201.09956	150.2
[M]-	201.10066	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe