CID 9546691

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

Structural Information

Molecular Formula
C18H39NO6P
SMILES
C[N+](C)(C)CCOP(=O)(O)OC[C@@H](COCCCCCCCCC=C)O
InChI
InChI=1S/C18H38NO6P/c1-5-6-7-8-9-10-11-12-14-23-16-18(20)17-25-26(21,22)24-15-13-19(2,3)4/h5,18,20H,1,6-17H2,2-4H3/p+1/t18-/m1/s1
InChIKey
XNDMKOYJBQLIFZ-GOSISDBHSA-O
Compound name
2-[[(2R)-3-dec-9-enoxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

396.2515 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.25878 202.4
[M+Na]+ 419.24072 206.7
[M-H]- 395.24422 198.8
[M+NH4]+ 414.28532 203.9
[M+K]+ 435.21466 199.5
[M+H-H2O]+ 379.24876 187.7
[M+HCOO]- 441.24970 218.9
[M+CH3COO]- 455.26535 216.8
[M+Na-2H]- 417.22617 189.5
[M]+ 396.25095 199.3
[M]- 396.25205 199.3
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