CID 52927434

Pg(12:0/0:0)

Structural Information

Molecular Formula
C18H37O9P
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C18H37O9P/c1-2-3-4-5-6-7-8-9-10-11-18(22)25-13-17(21)15-27-28(23,24)26-14-16(20)12-19/h16-17,19-21H,2-15H2,1H3,(H,23,24)/t16-,17+/m0/s1
InChIKey
IACXMECMZISNLR-DLBZAZTESA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

428.21753 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.22481 204.3
[M+Na]+ 451.20675 205.3
[M-H]- 427.21025 199.5
[M+NH4]+ 446.25135 204.4
[M+K]+ 467.18069 200.1
[M+H-H2O]+ 411.21479 194.7
[M+HCOO]- 473.21573 209.0
[M+CH3COO]- 487.23138 218.9
[M+Na-2H]- 449.19220 189.4
[M]+ 428.21698 200.5
[M]- 428.21808 200.5
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