CID 57732105

1063733-66-3

Structural Information

Molecular Formula

C₁₁H₁₉NO₄

SMILES

CC(C)(C)OC(=O)N1CCOCC2(C1)CO2

InChI

InChI=1S/C11H19NO4/c1-10(2,3)16-9(13)12-4-5-14-7-11(6-12)8-15-11/h4-8H2,1-3H3

InChIKey

FRFINYDYCUOIEK-UHFFFAOYSA-N

Compound name

tert-butyl 1,8-dioxa-5-azaspiro[2.6]nonane-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 229.13141 Da
Monoisotopic Mass: 0.2
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]+	230.13869	145.0
[M+Na]+	252.12063	150.3
[M-H]-	228.12413	151.8
[M+NH4]+	247.16523	155.7
[M+K]+	268.09457	156.2
[M+H-H2O]+	212.12867	138.9
[M+HCOO]-	274.12961	159.3
[M+CH3COO]-	288.14526	190.8
[M+Na-2H]-	250.10608	152.5
[M]+	229.13086	145.9
[M]-	229.13196	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe