CID 42607482

Pg(13:0/0:0)

Structural Information

Molecular Formula
C19H39O9P
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C19H39O9P/c1-2-3-4-5-6-7-8-9-10-11-12-19(23)26-14-18(22)16-28-29(24,25)27-15-17(21)13-20/h17-18,20-22H,2-16H2,1H3,(H,24,25)/t17-,18+/m0/s1
InChIKey
AEHBULVOYJOBBW-ZWKOTPCHSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

442.2332 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.24048 208.0
[M+Na]+ 465.22242 208.8
[M-H]- 441.22592 202.8
[M+NH4]+ 460.26702 208.1
[M+K]+ 481.19636 204.0
[M+H-H2O]+ 425.23046 198.2
[M+HCOO]- 487.23140 212.3
[M+CH3COO]- 501.24705 221.8
[M+Na-2H]- 463.20787 192.6
[M]+ 442.23265 204.1
[M]- 442.23375 204.1
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