CID 56962205

1251010-17-9

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CCC2(C1)CCC2=O

InChI

InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-7-6-12(8-13)5-4-9(12)14/h4-8H2,1-3H3

InChIKey

YSPQZAVVKDORTB-UHFFFAOYSA-N

Compound name

tert-butyl 3-oxo-6-azaspiro[3.4]octane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 225.13649 Da
Monoisotopic Mass: 0.9
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]+	226.14377	154.1
[M+Na]+	248.12571	157.5
[M+NH4]+	243.17031	158.0
[M+K]+	264.09965	155.7
[M-H]-	224.12921	150.6
[M+Na-2H]-	246.11116	155.0
[M]+	225.13594	152.2
[M]-	225.13704	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe