CID 75176252

119752-83-9

Structural Information

Molecular Formula

C₆H₁₄N₂O₄S₂

SMILES

C1C[N+]2(CC[N+]1(CC2)S(=O)O)S(=O)O

InChI

InChI=1S/C6H12N2O4S2/c9-13(10)7-1-2-8(5-3-7,6-4-7)14(11)12/h1-6H2/p+2

InChIKey

RWISEVUOFYXWFO-UHFFFAOYSA-P

Compound name

1,4-diazoniabicyclo[2.2.2]octane-1,4-disulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 337
Patents: 242.0395 Da
Monoisotopic Mass: -1.1
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]+	243.046776	132.2
[M+Na]+	265.028718	135.5
[M-H]-	241.032224	122.9
[M+NH4]+	260.073323	153.0
[M+K]+	281.002658	124.0
[M+H-H2O]+	225.036760	134.9
[M+HCOO]-	287.037701	127.9
[M+CH3COO]-	301.053351	171.9
[M+Na-2H]-	263.014166	148.9
[M]+	242.03895142	131.9
[M]-	242.04004858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe