CID 45672

63951-33-7

Structural Information

Molecular Formula
C10H26N2OS
SMILES
C[N+](C)(C)CCS(=O)CC[N+](C)(C)C
InChI
InChI=1S/C10H26N2OS/c1-11(2,3)7-9-14(13)10-8-12(4,5)6/h7-10H2,1-6H3/q+2
InChIKey
IVJVKRZTCDJHLE-UHFFFAOYSA-N
Compound name
trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfinyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17659 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18387 148.3
[M+Na]+ 245.16581 159.9
[M+NH4]+ 240.21041 158.3
[M+K]+ 261.13975 154.7
[M-H]- 221.16931 152.1
[M+Na-2H]- 243.15126 153.6
[M]+ 222.17604 152.2
[M]- 222.17714 152.2
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.