CID 5313834

Pc(o-10:1(9e)/2:0)

Structural Information

Molecular Formula
C20H41NO7P
SMILES
CC(=O)O[C@H](COCCCCCCCCC=C)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C20H40NO7P/c1-6-7-8-9-10-11-12-13-15-25-17-20(28-19(2)22)18-27-29(23,24)26-16-14-21(3,4)5/h6,20H,1,7-18H2,2-5H3/p+1/t20-/m1/s1
InChIKey
BPFZLUFVUFISLU-HXUWFJFHSA-O
Compound name
2-[[(2R)-2-acetyloxy-3-dec-9-enoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

438.26205 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.26933 210.5
[M+Na]+ 461.25127 216.0
[M-H]- 437.25477 209.6
[M+NH4]+ 456.29587 216.8
[M+K]+ 477.22521 209.6
[M+H-H2O]+ 421.25931 197.5
[M+HCOO]- 483.26025 226.2
[M+CH3COO]- 497.27590 226.1
[M+Na-2H]- 459.23672 198.2
[M]+ 438.26150 208.6
[M]- 438.26260 208.6
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