CID 17527

Diisopropylphosphorylthiocholine iodide

Structural Information

Molecular Formula
C11H27NO3PS
SMILES
CC(C)OP(=O)(OC(C)C)SCC[N+](C)(C)C
InChI
InChI=1S/C11H27NO3PS/c1-10(2)14-16(13,15-11(3)4)17-9-8-12(5,6)7/h10-11H,8-9H2,1-7H3/q+1
InChIKey
ZQRFDCBNNVPWQI-UHFFFAOYSA-N
Compound name
2-di(propan-2-yloxy)phosphorylsulfanylethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14493 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15221 163.0
[M+Na]+ 307.13415 167.4
[M-H]- 283.13765 163.6
[M+NH4]+ 302.17875 180.5
[M+K]+ 323.10809 162.4
[M+H-H2O]+ 267.14219 157.9
[M+HCOO]- 329.14313 183.3
[M+CH3COO]- 343.15878 200.8
[M+Na-2H]- 305.11960 165.0
[M]+ 284.14438 169.9
[M]- 284.14548 169.9
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.