CID 155823310

2219371-02-3

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₄

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CNC2=O

InChI

InChI=1S/C14H22N2O4/c1-13(2,3)20-12(19)16-6-4-14(5-7-16)8-10(17)9-15-11(14)18/h4-9H2,1-3H3,(H,15,18)

InChIKey

DTPRETGFWALXKA-UHFFFAOYSA-N

Compound name

tert-butyl 1,4-dioxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.15796 Da
Monoisotopic Mass: 0.3
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]+	283.165236	166.8
[M+Na]+	305.147178	171.3
[M-H]-	281.150684	167.3
[M+NH4]+	300.191783	181.5
[M+K]+	321.121118	169.3
[M+H-H2O]+	265.155220	160.1
[M+HCOO]-	327.156161	177.2
[M+CH3COO]-	341.171811	194.5
[M+Na-2H]-	303.132626	169.1
[M]+	282.15741142	160.9
[M]-	282.15850858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.