CID 54758970

6-boc-2-oxa-6-azaspiro[3.4]octane

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CCC2(C1)COC2

InChI

InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-5-4-11(6-12)7-14-8-11/h4-8H2,1-3H3

InChIKey

ACMASIMZBDTNIZ-UHFFFAOYSA-N

Compound name

tert-butyl 2-oxa-7-azaspiro[3.4]octane-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 213.13649 Da
Monoisotopic Mass: 1.0
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]+	214.14377	144.7
[M+Na]+	236.12571	149.2
[M-H]-	212.12921	149.3
[M+NH4]+	231.17031	158.4
[M+K]+	252.09965	153.1
[M+H-H2O]+	196.13375	135.5
[M+HCOO]-	258.13469	160.9
[M+CH3COO]-	272.15034	186.5
[M+Na-2H]-	234.11116	149.7
[M]+	213.13594	153.4
[M]-	213.13704	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe