CID 52927441

Pg(15:1(9z)/0:0)

Structural Information

Molecular Formula
C21H41O9P
SMILES
CCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C21H41O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21(25)28-16-20(24)18-30-31(26,27)29-17-19(23)15-22/h6-7,19-20,22-24H,2-5,8-18H2,1H3,(H,26,27)/b7-6-/t19-,20+/m0/s1
InChIKey
WECFZWMCSXUKNW-SLVIYJBESA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (Z)-pentadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

468.2488 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.25608 212.9
[M+Na]+ 491.23802 214.0
[M-H]- 467.24152 207.7
[M+NH4]+ 486.28262 213.3
[M+K]+ 507.21196 209.6
[M+H-H2O]+ 451.24606 203.0
[M+HCOO]- 513.24700 217.2
[M+CH3COO]- 527.26265 226.2
[M+Na-2H]- 489.22347 197.1
[M]+ 468.24825 208.8
[M]- 468.24935 208.8
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

patents stripe