CID 52927249

Pg(o-16:0/12:0)

Structural Information

Molecular Formula
C34H69O9P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C34H69O9P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-40-30-33(31-42-44(38,39)41-29-32(36)28-35)43-34(37)26-24-22-20-18-12-10-8-6-4-2/h32-33,35-36H,3-31H2,1-2H3,(H,38,39)/t32-,33+/m0/s1
InChIKey
WVBWSEJGHVIHEP-JHOUSYSJSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

652.4679 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.47518 262.7
[M+Na]+ 675.45712 261.7
[M-H]- 651.46062 252.0
[M+NH4]+ 670.50172 264.6
[M+K]+ 691.43106 263.1
[M+H-H2O]+ 635.46516 252.2
[M+HCOO]- 697.46610 262.4
[M+CH3COO]- 711.48175 265.9
[M+Na-2H]- 673.44257 241.2
[M]+ 652.46735 260.2
[M]- 652.46845 260.2
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.