CID 45670

Ammonium, sulfinyldiethylenebis(triethyl-, dibromide

Structural Information

Molecular Formula
C16H38N2OS
SMILES
CC[N+](CC)(CC)CCS(=O)CC[N+](CC)(CC)CC
InChI
InChI=1S/C16H38N2OS/c1-7-17(8-2,9-3)13-15-20(19)16-14-18(10-4,11-5)12-6/h7-16H2,1-6H3/q+2
InChIKey
MIYUYUVDZJEUBS-UHFFFAOYSA-N
Compound name
triethyl-[2-[2-(triethylazaniumyl)ethylsulfinyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.27048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.27776 169.5
[M+Na]+ 329.25970 172.2
[M-H]- 305.26320 171.7
[M+NH4]+ 324.30430 185.8
[M+K]+ 345.23364 160.0
[M+H-H2O]+ 289.26774 168.4
[M+HCOO]- 351.26868 184.9
[M+CH3COO]- 365.28433 206.0
[M+Na-2H]- 327.24515 175.7
[M]+ 306.26993 173.6
[M]- 306.27103 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.