CID 10966288

Tert-butyl 1,4,7-triazonane-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₃N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCNCCNCC1

InChI

InChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)14-8-6-12-4-5-13-7-9-14/h12-13H,4-9H2,1-3H3

InChIKey

JUXSGTOWKOLPFV-UHFFFAOYSA-N

Compound name

tert-butyl 1,4,7-triazonane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 229.17903 Da
Monoisotopic Mass: 0.0
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]+	230.186306	191.7
[M+Na]+	252.168248	193.8
[M-H]-	228.171754	191.8
[M+NH4]+	247.212853	192.0
[M+K]+	268.142188	191.5
[M+H-H2O]+	212.176290	183.3
[M+HCOO]-	274.177231	192.7
[M+CH3COO]-	288.192881	193.4
[M+Na-2H]-	250.153696	194.4
[M]+	229.17848142	192.2
[M]-	229.17957858	192.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe