CID 49760545

1194376-44-7

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCC2(C1)CCNC2=O

InChI

InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-7-5-12(8-14)4-6-13-9(12)15/h4-8H2,1-3H3,(H,13,15)

InChIKey

RJXAFHSMTSRJKE-UHFFFAOYSA-N

Compound name

tert-butyl 1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 64
Patents: 240.1474 Da
Monoisotopic Mass: 0.5
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]+	241.15468	156.6
[M+Na]+	263.13662	162.6
[M+NH4]+	258.18122	163.5
[M+K]+	279.11056	161.6
[M-H]-	239.14012	154.4
[M+Na-2H]-	261.12207	158.7
[M]+	240.14685	156.4
[M]-	240.14795	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe