CID 52929729

Pa(p-20:0/19:1(9z))

Structural Information

Molecular Formula
C42H81O7P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChI
InChI=1S/C42H81O7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-47-39-41(40-48-50(44,45)46)49-42(43)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h20,23,36,38,41H,3-19,21-22,24-35,37,39-40H2,1-2H3,(H2,44,45,46)/b23-20-,38-36-/t41-/m1/s1
InChIKey
UYVFVTMZSVJHHD-KOJXWNQLSA-N
Compound name
[(2R)-1-[(Z)-icos-1-enoxy]-3-phosphonooxypropan-2-yl] (Z)-nonadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

728.572 Da
Monoisotopic Mass

16.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 729.57928 279.0
[M+Na]+ 751.56122 279.5
[M-H]- 727.56472 264.6
[M+NH4]+ 746.60582 280.7
[M+K]+ 767.53516 283.0
[M+H-H2O]+ 711.56926 268.3
[M+HCOO]- 773.57020 281.7
[M+CH3COO]- 787.58585 283.2
[M+Na-2H]- 749.54667 256.5
[M]+ 728.57145 276.7
[M]- 728.57255 276.7
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.