CID 17200

56217-67-5

Structural Information

Molecular Formula
C8H21NO2PS
SMILES
CCOP(=O)(C)SCC[N+](C)(C)C
InChI
InChI=1S/C8H21NO2PS/c1-6-11-12(5,10)13-8-7-9(2,3)4/h6-8H2,1-5H3/q+1
InChIKey
MGISCEYZGHROKJ-UHFFFAOYSA-N
Compound name
2-[ethoxy(methyl)phosphoryl]sulfanylethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.10306 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11034 147.2
[M+Na]+ 249.09228 153.5
[M-H]- 225.09578 148.2
[M+NH4]+ 244.13688 167.2
[M+K]+ 265.06622 147.8
[M+H-H2O]+ 209.10032 142.6
[M+HCOO]- 271.10126 170.2
[M+CH3COO]- 285.11691 188.6
[M+Na-2H]- 247.07773 152.2
[M]+ 226.10251 152.9
[M]- 226.10361 152.9
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.