CID 87571

18304-79-5

Structural Information

Molecular Formula

C₈H₁₆N₄

SMILES

C1CN2CN1CN3CCN(C3)C2

InChI

InChI=1S/C8H16N4/c1-2-10-5-9(1)7-11-3-4-12(6-11)8-10/h1-8H2

InChIKey

ZBFHXDNNFOOFLY-UHFFFAOYSA-N

Compound name

1,3,6,8-tetrazatricyclo[6.2.1.13,6]dodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 168.1375 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]+	169.14478	161.5
[M+Na]+	191.12672	166.1
[M-H]-	167.13022	160.1
[M+NH4]+	186.17132	170.9
[M+K]+	207.10066	166.2
[M+H-H2O]+	151.13476	156.4
[M+HCOO]-	213.13570	166.8
[M+CH3COO]-	227.15135	165.0
[M+Na-2H]-	189.11217	160.0
[M]+	168.13695	159.5
[M]-	168.13805	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe