CID 72207532

1363381-22-9

Structural Information

Molecular Formula

C₁₃H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CCC(=O)CC2

InChI

InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-13(9-14)6-4-10(15)5-7-13/h4-9H2,1-3H3

InChIKey

KHCPHQZPEYFYRA-UHFFFAOYSA-N

Compound name

tert-butyl 7-oxo-2-azaspiro[3.5]nonane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 275
Patents: 239.15215 Da
Monoisotopic Mass: 1.2
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]+	240.15943	154.5
[M+Na]+	262.14137	158.7
[M-H]-	238.14487	158.1
[M+NH4]+	257.18597	166.7
[M+K]+	278.11531	160.8
[M+H-H2O]+	222.14941	144.2
[M+HCOO]-	284.15035	168.9
[M+CH3COO]-	298.16600	193.0
[M+Na-2H]-	260.12682	158.1
[M]+	239.15160	160.9
[M]-	239.15270	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe