CID 72207765

1363380-93-1

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CCC12CC(=O)C2

InChI

InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-5-4-11(12)6-8(13)7-11/h4-7H2,1-3H3

InChIKey

YQTHBUWNYDZION-UHFFFAOYSA-N

Compound name

tert-butyl 6-oxo-1-azaspiro[3.3]heptane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 211.12085 Da
Monoisotopic Mass: 0.6
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]+	212.128126	142.5
[M+Na]+	234.110068	146.8
[M-H]-	210.113574	146.6
[M+NH4]+	229.154673	149.2
[M+K]+	250.084008	152.0
[M+H-H2O]+	194.118110	129.3
[M+HCOO]-	256.119051	157.5
[M+CH3COO]-	270.134701	197.4
[M+Na-2H]-	232.095516	146.8
[M]+	211.12030142	159.4
[M]-	211.12139858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe