CID 10158910

Dtxsid401150791

Structural Information

Molecular Formula

C₁₆H₃₄N₄

SMILES

CCN1CCCN2CCN(CCCN(CC2)CC)CC1

InChI

InChI=1S/C16H34N4/c1-3-17-7-5-9-20-14-12-18(4-2)8-6-10-19(13-11-17)15-16-20/h3-16H2,1-2H3

InChIKey

GQYGJYJXYHQAHX-UHFFFAOYSA-N

Compound name

4,11-diethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2633
Patents: 282.27835 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]+	283.28563	171.6
[M+Na]+	305.26757	173.2
[M-H]-	281.27107	160.3
[M+NH4]+	300.31217	178.7
[M+K]+	321.24151	172.1
[M+H-H2O]+	265.27561	167.4
[M+HCOO]-	327.27655	176.8
[M+CH3COO]-	341.29220	196.5
[M+Na-2H]-	303.25302	171.6
[M]+	282.27780	160.3
[M]-	282.27890	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe