CID 11160507

194222-05-4

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)O

InChI

InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9+,10?

InChIKey

SEGZJJSZYOEABC-ULKQDVFKSA-N

Compound name

tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 815
Patents: 227.15215 Da
Monoisotopic Mass: 1.6
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]+	228.15943	155.2
[M+Na]+	250.14137	160.8
[M-H]-	226.14487	154.9
[M+NH4]+	245.18597	175.2
[M+K]+	266.11531	159.4
[M+H-H2O]+	210.14941	150.6
[M+HCOO]-	272.15035	168.8
[M+CH3COO]-	286.16600	187.3
[M+Na-2H]-	248.12682	157.6
[M]+	227.15160	153.7
[M]-	227.15270	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe