CID 69669842

1239319-91-5

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CCC2(C1)CC(C2)O

InChI

InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-5-4-12(8-13)6-9(14)7-12/h9,14H,4-8H2,1-3H3

InChIKey

KAVBYCOMZDNOFX-UHFFFAOYSA-N

Compound name

tert-butyl 2-hydroxy-6-azaspiro[3.4]octane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 227.15215 Da
Monoisotopic Mass: 1.2
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]+	228.159426	153.1
[M+Na]+	250.141368	157.5
[M-H]-	226.144874	155.9
[M+NH4]+	245.185973	167.0
[M+K]+	266.115308	159.3
[M+H-H2O]+	210.149410	143.9
[M+HCOO]-	272.150351	168.2
[M+CH3COO]-	286.166001	188.0
[M+Na-2H]-	248.126816	155.4
[M]+	227.15160142	160.0
[M]-	227.15269858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe