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 141.8
[M+Na]+ 245.16581 147.0
[M-H]- 221.16931 145.2
[M+NH4]+ 240.21041 161.4
[M+K]+ 261.13975 136.4
[M+H-H2O]+ 205.17385 142.0
[M+HCOO]- 267.17479 159.2
[M+CH3COO]- 281.19044 188.1
[M+Na-2H]- 243.15126 150.8
[M]+ 222.17604 143.7
[M]- 222.17714 143.7
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.