CID 134812364

Oob-pe

Structural Information

Molecular Formula
C27H50NO9P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC=O
InChI
InChI=1S/C27H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26(30)34-23-25(37-27(31)19-17-21-29)24-36-38(32,33)35-22-20-28/h9-10,21,25H,2-8,11-20,22-24,28H2,1H3,(H,32,33)/b10-9-/t25-/m1/s1
InChIKey
APSYPNRWQOKMHI-HAAQQRBASA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(4-oxobutanoyloxy)propyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.3223 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.32958 236.2
[M+Na]+ 586.31152 241.3
[M-H]- 562.31502 233.3
[M+NH4]+ 581.35612 242.0
[M+K]+ 602.28546 237.0
[M+H-H2O]+ 546.31956 227.7
[M+HCOO]- 608.32050 241.9
[M+CH3COO]- 622.33615 252.5
[M+Na-2H]- 584.29697 220.3
[M]+ 563.32175 232.4
[M]- 563.32285 232.4
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.