CID 50990947

1251015-63-0

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1C2CCC1CNCC2

InChI

InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-4-5-10(14)8-13-7-6-9/h9-10,13H,4-8H2,1-3H3

InChIKey

IDJDDPDWYRVJPF-UHFFFAOYSA-N

Compound name

tert-butyl 3,9-diazabicyclo[4.2.1]nonane-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 226.16812 Da
Monoisotopic Mass: 1.4
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]+	227.17540	152.4
[M+Na]+	249.15734	156.1
[M-H]-	225.16084	152.1
[M+NH4]+	244.20194	169.6
[M+K]+	265.13128	157.3
[M+H-H2O]+	209.16538	146.2
[M+HCOO]-	271.16632	164.4
[M+CH3COO]-	285.18197	188.2
[M+Na-2H]-	247.14279	155.1
[M]+	226.16757	146.6
[M]-	226.16867	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe