CID 134812365

Os-pe

Structural Information

Molecular Formula
C27H50NO10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC(=O)O
InChI
InChI=1S/C27H50NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(31)35-22-24(38-27(32)19-18-25(29)30)23-37-39(33,34)36-21-20-28/h9-10,24H,2-8,11-23,28H2,1H3,(H,29,30)(H,33,34)/b10-9-/t24-/m1/s1
InChIKey
HYIYHUUPCKOGSP-OPSAWKISSA-N
Compound name
4-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.31726 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.32454 237.7
[M+Na]+ 602.30648 241.7
[M-H]- 578.30998 236.4
[M+NH4]+ 597.35108 243.4
[M+K]+ 618.28042 237.9
[M+H-H2O]+ 562.31452 228.6
[M+HCOO]- 624.31546 239.2
[M+CH3COO]- 638.33111 253.1
[M+Na-2H]- 600.29193 221.3
[M]+ 579.31671 233.3
[M]- 579.31781 233.3
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

No patent data available for this compound.