CID 45758

As-7589

Structural Information

Molecular Formula
C14H34N2OS
SMILES
CC[N+](C)(C)CCS(=O)CC[N+](CC)(CC)CC
InChI
InChI=1S/C14H34N2OS/c1-7-15(5,6)11-13-18(17)14-12-16(8-2,9-3)10-4/h7-14H2,1-6H3/q+2
InChIKey
YQXCASRPVZBVOV-UHFFFAOYSA-N
Compound name
triethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethylsulfinyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2392 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.24648 160.4
[M+Na]+ 301.22842 163.9
[M-H]- 277.23192 163.0
[M+NH4]+ 296.27302 177.7
[M+K]+ 317.20236 152.2
[M+H-H2O]+ 261.23646 159.7
[M+HCOO]- 323.23740 176.4
[M+CH3COO]- 337.25305 200.0
[M+Na-2H]- 299.21387 167.5
[M]+ 278.23865 163.7
[M]- 278.23975 163.7
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.