CID 44595344

1198466-20-4

Structural Information

Molecular Formula

C₁₃H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC2CCCC(C1)C2N

InChI

InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-9-5-4-6-10(8-15)11(9)14/h9-11H,4-8,14H2,1-3H3

InChIKey

QOQQKPHJTZRKSK-UHFFFAOYSA-N

Compound name

tert-butyl 9-amino-3-azabicyclo[3.3.1]nonane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 240.18378 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]+	241.19106	157.0
[M+Na]+	263.17300	164.8
[M+NH4]+	258.21760	164.4
[M+K]+	279.14694	160.4
[M-H]-	239.17650	156.7
[M+Na-2H]-	261.15845	157.6
[M]+	240.18323	157.6
[M]-	240.18433	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe