CID 123962010

2241142-14-1

Structural Information

Molecular Formula

C₁₃H₂₂N₂O₅

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2(COC2)C(=O)O

InChI

InChI=1S/C13H22N2O5/c1-12(2,3)20-11(18)14-4-6-15(7-5-14)13(10(16)17)8-19-9-13/h4-9H2,1-3H3,(H,16,17)

InChIKey

QOJLMUHHCGFLAU-UHFFFAOYSA-N

Compound name

3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]oxetane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 286.15286 Da
Monoisotopic Mass: -2.3
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]+	287.160136	165.5
[M+Na]+	309.142078	167.6
[M-H]-	285.145584	167.5
[M+NH4]+	304.186683	171.5
[M+K]+	325.116018	172.0
[M+H-H2O]+	269.150120	153.6
[M+HCOO]-	331.151061	175.5
[M+CH3COO]-	345.166711	198.2
[M+Na-2H]-	307.127526	167.8
[M]+	286.15231142	172.5
[M]-	286.15340858	172.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe