CID 56777107

1234616-51-3

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₃

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2

InChI

InChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-6-11(7-13)4-8(14)12-5-11/h4-7H2,1-3H3,(H,12,14)

InChIKey

IRALTYPUIGPWFA-UHFFFAOYSA-N

Compound name

tert-butyl 6-oxo-2,7-diazaspiro[3.4]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 226.13174 Da
Monoisotopic Mass: 0.0
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]+	227.139016	152.6
[M+Na]+	249.120958	157.6
[M-H]-	225.124464	154.1
[M+NH4]+	244.165563	165.1
[M+K]+	265.094898	159.1
[M+H-H2O]+	209.129000	142.5
[M+HCOO]-	271.129941	166.8
[M+CH3COO]-	285.145591	186.9
[M+Na-2H]-	247.106406	155.1
[M]+	226.13119142	158.9
[M]-	226.13228858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe