CID 22490277

313238-53-8

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₃

SMILES

CC(C)(C)OC(=O)N1CC2CNCC(C1)C2O

InChI

InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-6-8-4-13-5-9(7-14)10(8)15/h8-10,13,15H,4-7H2,1-3H3

InChIKey

NXIZCOXUZZYOOJ-UHFFFAOYSA-N

Compound name

tert-butyl 9-hydroxy-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 242.16304 Da
Monoisotopic Mass: 0.1
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]+	243.170316	160.0
[M+Na]+	265.152258	164.2
[M-H]-	241.155764	156.3
[M+NH4]+	260.196863	175.2
[M+K]+	281.126198	161.9
[M+H-H2O]+	225.160300	153.9
[M+HCOO]-	287.161241	168.4
[M+CH3COO]-	301.176891	188.2
[M+Na-2H]-	263.137706	163.2
[M]+	242.16249142	155.0
[M]-	242.16358858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe