CID 498424

Nsc629375

Structural Information

Molecular Formula

C₈H₁₆N₄P

SMILES

C1CN2CCN3[P+]24N1CCN4CC3

InChI

InChI=1S/C8H16N4P/c1-2-10-5-6-12-8-7-11-4-3-9(1)13(10,11)12/h1-8H2/q+1

InChIKey

WGGFVARKIMKOAC-UHFFFAOYSA-N

Compound name

1,4,7,10-tetraza-13-phosphoniatetracyclo[5.5.1.04,13.010,13]tridecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 199.11125 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]+	200.11853	142.1
[M+Na]+	222.10047	148.0
[M-H]-	198.10397	142.3
[M+NH4]+	217.14507	166.8
[M+K]+	238.07441	143.0
[M+H-H2O]+	182.10851	134.2
[M+HCOO]-	244.10945	162.0
[M+CH3COO]-	258.12510	179.1
[M+Na-2H]-	220.08592	141.5
[M]+	199.11070	138.0
[M]-	199.11180	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe