CID 132427824

Tert-butyl 6-oxo-2-azaspiro[4.5]decane-2-carboxylate

Structural Information

Molecular Formula

C₁₄H₂₃NO₃

SMILES

CC(C)(C)OC(=O)N1CCC2(C1)CCCCC2=O

InChI

InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-9-8-14(10-15)7-5-4-6-11(14)16/h4-10H2,1-3H3

InChIKey

RCUSPTFCKSODAO-UHFFFAOYSA-N

Compound name

tert-butyl 6-oxo-2-azaspiro[4.5]decane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 253.1678 Da
Monoisotopic Mass: 1.8
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]+	254.175076	161.3
[M+Na]+	276.157018	166.1
[M-H]-	252.160524	164.7
[M+NH4]+	271.201623	181.1
[M+K]+	292.130958	164.7
[M+H-H2O]+	236.165060	155.7
[M+HCOO]-	298.166001	176.4
[M+CH3COO]-	312.181651	191.0
[M+Na-2H]-	274.142466	162.9
[M]+	253.16725142	157.6
[M]-	253.16834858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe