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 185.1
[M+Na]+ 379.13665 190.4
[M-H]- 355.14015 187.0
[M+NH4]+ 374.18125 190.2
[M+K]+ 395.11059 181.1
[M+H-H2O]+ 339.14469 172.0
[M+HCOO]- 401.14563 202.0
[M+CH3COO]- 415.16128 205.0
[M+Na-2H]- 377.12210 175.1
[M]+ 356.14688 182.7
[M]- 356.14798 182.7
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.