CID 145864748

Chebi:145782

Structural Information

Molecular Formula
C13H27NO8P
SMILES
C[N+](C)(C)CCOP(=O)(O)OC[C@@H](CO)OC(=O)CCCC=O
InChI
InChI=1S/C13H26NO8P/c1-14(2,3)7-9-20-23(18,19)21-11-12(10-16)22-13(17)6-4-5-8-15/h8,12,16H,4-7,9-11H2,1-3H3/p+1/t12-/m1/s1
InChIKey
XSDCTKAQCWOPEH-GFCCVEGCSA-O
Compound name
2-[hydroxy-[(2R)-3-hydroxy-2-(5-oxopentanoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14743 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15471 186.6
[M+Na]+ 379.13665 193.5
[M+NH4]+ 374.18125 195.7
[M+K]+ 395.11059 201.7
[M-H]- 355.14015 182.9
[M+Na-2H]- 377.12210 184.1
[M]+ 356.14688 188.9
[M]- 356.14798 188.9
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.