CID 45668

As-7367

Structural Information

Molecular Formula
C12H30N2OS
SMILES
CC[N+](C)(C)CCS(=O)CC[N+](C)(C)CC
InChI
InChI=1S/C12H30N2OS/c1-7-13(3,4)9-11-16(15)12-10-14(5,6)8-2/h7-12H2,1-6H3/q+2
InChIKey
SZHSJPDSTUGIAJ-UHFFFAOYSA-N
Compound name
ethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethylsulfinyl]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.20789 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.21517 151.1
[M+Na]+ 273.19711 155.5
[M-H]- 249.20061 154.1
[M+NH4]+ 268.24171 169.6
[M+K]+ 289.17105 144.3
[M+H-H2O]+ 233.20515 150.8
[M+HCOO]- 295.20609 167.8
[M+CH3COO]- 309.22174 194.1
[M+Na-2H]- 271.18256 159.2
[M]+ 250.20734 153.8
[M]- 250.20844 153.8
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.