CID 3041827

Ammonium, (2-(2-oxo-1,3,2-dioxaphosphorinan-2-ylthio)ethyl)trimethyl-, methanesulfonate

Structural Information

Molecular Formula
C8H19NO3PS
SMILES
C[N+](C)(C)CCSP1(=O)OCCCO1
InChI
InChI=1S/C8H19NO3PS/c1-9(2,3)5-8-14-13(10)11-6-4-7-12-13/h4-8H2,1-3H3/q+1
InChIKey
ISDYTRDNYBCTMG-UHFFFAOYSA-N
Compound name
trimethyl-[2-[(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)sulfanyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.08232 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08960 146.1
[M+Na]+ 263.07154 151.1
[M-H]- 239.07504 150.8
[M+NH4]+ 258.11614 164.3
[M+K]+ 279.04548 147.8
[M+H-H2O]+ 223.07958 141.4
[M+HCOO]- 285.08052 166.7
[M+CH3COO]- 299.09617 186.1
[M+Na-2H]- 261.05699 153.5
[M]+ 240.08177 148.2
[M]- 240.08287 148.2
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.