CID 52927436

Pg(16:1(9z)/0:0)

Structural Information

Molecular Formula
C22H43O9P
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C22H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h7-8,20-21,23-25H,2-6,9-19H2,1H3,(H,27,28)/b8-7-/t20-,21+/m0/s1
InChIKey
JSKJPUCKVIJTKI-PNHFMCTPSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

482.26447 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.27175 216.6
[M+Na]+ 505.25369 217.4
[M-H]- 481.25719 211.0
[M+NH4]+ 500.29829 216.8
[M+K]+ 521.22763 213.4
[M+H-H2O]+ 465.26173 206.4
[M+HCOO]- 527.26267 220.4
[M+CH3COO]- 541.27832 229.0
[M+Na-2H]- 503.23914 200.3
[M]+ 482.26392 212.4
[M]- 482.26502 212.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe