CID 52924980

Pe(o-18:0/17:1(9z))

Structural Information

Molecular Formula
C40H80NO7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCC
InChI
InChI=1S/C40H80NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41)48-40(42)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h16,18,39H,3-15,17,19-38,41H2,1-2H3,(H,43,44)/b18-16-/t39-/m1/s1
InChIKey
RJBHVWOPVMCDCE-MGIDVFSBSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] (Z)-heptadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

717.56726 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 718.57454 278.3
[M+Na]+ 740.55648 280.4
[M-H]- 716.55998 266.0
[M+NH4]+ 735.60108 279.9
[M+K]+ 756.53042 282.0
[M+H-H2O]+ 700.56452 267.3
[M+HCOO]- 762.56546 279.7
[M+CH3COO]- 776.58111 286.0
[M+Na-2H]- 738.54193 256.1
[M]+ 717.56671 273.9
[M]- 717.56781 273.9
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.