CID 52923881

Pc(p-16:0/15:1(9z))

Structural Information

Molecular Formula
C39H77NO7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCC
InChI
InChI=1S/C39H76NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40(3,4)5)47-39(41)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h15,17,31,34,38H,6-14,16,18-30,32-33,35-37H2,1-5H3/p+1/b17-15-,34-31-/t38-/m1/s1
InChIKey
RVVIIUDDUQISTE-XLPIDCJYSA-O
Compound name
2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-[(Z)-pentadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

702.54376 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.55104 275.6
[M+Na]+ 725.53298 278.0
[M-H]- 701.53648 268.3
[M+NH4]+ 720.57758 281.6
[M+K]+ 741.50692 279.0
[M+H-H2O]+ 685.54102 260.3
[M+HCOO]- 747.54196 284.5
[M+CH3COO]- 761.55761 277.6
[M+Na-2H]- 723.51843 255.3
[M]+ 702.54321 273.0
[M]- 702.54431 273.0
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.