CID 5313971

Lysopc(10:0)

Structural Information

Molecular Formula
C18H39NO7P
SMILES
CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C18H38NO7P/c1-5-6-7-8-9-10-11-12-18(21)24-15-17(20)16-26-27(22,23)25-14-13-19(2,3)4/h17,20H,5-16H2,1-4H3/p+1/t17-/m1/s1
InChIKey
SECPDKKEUKDCPG-QGZVFWFLSA-O
Compound name
2-[[(2R)-3-decanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

219
Patents

412.24643 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25371 205.9
[M+Na]+ 435.23565 211.7
[M+NH4]+ 430.28025 214.1
[M+K]+ 451.20959 218.6
[M-H]- 411.23915 201.3
[M+Na-2H]- 433.22110 201.2
[M]+ 412.24588 207.5
[M]- 412.24698 207.5
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

patents stripe