CID 45762

As-8872

Structural Information

Molecular Formula
C14H34N2S2
SMILES
CC[N+](C)(CC)CCSSCC[N+](C)(CC)CC
InChI
InChI=1S/C14H34N2S2/c1-7-15(5,8-2)11-13-17-18-14-12-16(6,9-3)10-4/h7-14H2,1-6H3/q+2
InChIKey
SXPPSGIVABMXFE-UHFFFAOYSA-N
Compound name
2-[2-[diethyl(methyl)azaniumyl]ethyldisulfanyl]ethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.21634 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22362 158.9
[M+Na]+ 317.20556 162.0
[M-H]- 293.20906 160.8
[M+NH4]+ 312.25016 175.6
[M+K]+ 333.17950 148.6
[M+H-H2O]+ 277.21360 157.2
[M+HCOO]- 339.21454 169.6
[M+CH3COO]- 353.23019 203.4
[M+Na-2H]- 315.19101 164.8
[M]+ 294.21579 162.1
[M]- 294.21689 162.1
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.