CID 122163833

Tert-butyl 4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylate

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

CC1(CN(CCC12CO2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C13H23NO3/c1-11(2,3)17-10(15)14-7-6-13(9-16-13)12(4,5)8-14/h6-9H2,1-5H3

InChIKey

NXYFKJCZVXPERN-UHFFFAOYSA-N

Compound name

tert-butyl 4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 241.1678 Da
Monoisotopic Mass: 1.9
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]+	242.175076	160.6
[M+Na]+	264.157018	168.9
[M-H]-	240.160524	166.4
[M+NH4]+	259.201623	175.5
[M+K]+	280.130958	170.2
[M+H-H2O]+	224.165060	156.0
[M+HCOO]-	286.166001	175.2
[M+CH3COO]-	300.181651	193.7
[M+Na-2H]-	262.142466	166.8
[M]+	241.16725142	164.5
[M]-	241.16834858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe