CID 17529

Diisopropoxyphosphorylcholine iodide

Structural Information

Molecular Formula
C11H27NO4P
SMILES
CC(C)OP(=O)(OCC[N+](C)(C)C)OC(C)C
InChI
InChI=1S/C11H27NO4P/c1-10(2)15-17(13,16-11(3)4)14-9-8-12(5,6)7/h10-11H,8-9H2,1-7H3/q+1
InChIKey
HCJHXQJUBHFXPL-UHFFFAOYSA-N
Compound name
2-di(propan-2-yloxy)phosphoryloxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.16776 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17504 163.2
[M+Na]+ 291.15698 168.2
[M-H]- 267.16048 163.9
[M+NH4]+ 286.20158 182.1
[M+K]+ 307.13092 164.8
[M+H-H2O]+ 251.16502 159.0
[M+HCOO]- 313.16596 195.6
[M+CH3COO]- 327.18161 199.1
[M+Na-2H]- 289.14243 168.0
[M]+ 268.16721 170.2
[M]- 268.16831 170.2
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.