CID 5313971

Dtxsid90944904

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
3
Annotation Hits

0
References

226
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 204.2
[M+Na]+ 435.23565 208.5
[M-H]- 411.23915 202.9
[M+NH4]+ 430.28025 208.0
[M+K]+ 451.20959 201.7
[M+H-H2O]+ 395.24369 190.2
[M+HCOO]- 457.24463 218.4
[M+CH3COO]- 471.26028 218.8
[M+Na-2H]- 433.22110 191.6
[M]+ 412.24588 201.3
[M]- 412.24698 201.3
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