CID 58338096

1330766-08-9

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CC2CCC(C1)C2O

InChI

InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-6-8-4-5-9(7-13)10(8)14/h8-10,14H,4-7H2,1-3H3

InChIKey

XKTZALADSXGEHI-UHFFFAOYSA-N

Compound name

tert-butyl 8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 227.15215 Da
Monoisotopic Mass: 1.3
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	155.2
[M+Na]+	250.141368	160.8
[M-H]-	226.144874	154.9
[M+NH4]+	245.185973	175.2
[M+K]+	266.115308	159.4
[M+H-H2O]+	210.149410	150.6
[M+HCOO]-	272.150351	168.8
[M+CH3COO]-	286.166001	187.3
[M+Na-2H]-	248.126816	157.6
[M]+	227.15160142	153.7
[M]-	227.15269858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe