CID 45683

Ammonium, thiodiethylenebis(triethyl-, dibromide

Structural Information

Molecular Formula
C16H38N2S
SMILES
CC[N+](CC)(CC)CCSCC[N+](CC)(CC)CC
InChI
InChI=1S/C16H38N2S/c1-7-17(8-2,9-3)13-15-19-16-14-18(10-4,11-5)12-6/h7-16H2,1-6H3/q+2
InChIKey
NUZICIKDHNIQMQ-UHFFFAOYSA-N
Compound name
triethyl-[2-[2-(triethylazaniumyl)ethylsulfanyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.27557 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.28285 166.7
[M+Na]+ 313.26479 169.6
[M-H]- 289.26829 168.9
[M+NH4]+ 308.30939 183.8
[M+K]+ 329.23873 157.2
[M+H-H2O]+ 273.27283 165.6
[M+HCOO]- 335.27377 182.7
[M+CH3COO]- 349.28942 205.0
[M+Na-2H]- 311.25024 173.6
[M]+ 290.27502 170.8
[M]- 290.27612 170.8
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.