CID 52927239

Pg(12:0/14:0)

Structural Information

Molecular Formula
C32H63O10P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C32H63O10P/c1-3-5-7-9-11-13-14-16-18-20-22-24-32(36)42-30(28-41-43(37,38)40-26-29(34)25-33)27-39-31(35)23-21-19-17-15-12-10-8-6-4-2/h29-30,33-34H,3-28H2,1-2H3,(H,37,38)/t29-,30+/m0/s1
InChIKey
LULDSPIIVCQYOL-XZWHSSHBSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-dodecanoyloxypropan-2-yl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

638.4159 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.42318 257.5
[M+Na]+ 661.40512 257.5
[M-H]- 637.40862 250.6
[M+NH4]+ 656.44972 262.1
[M+K]+ 677.37906 258.0
[M+H-H2O]+ 621.41316 248.0
[M+HCOO]- 683.41410 256.4
[M+CH3COO]- 697.42975 261.7
[M+Na-2H]- 659.39057 237.6
[M]+ 638.41535 255.7
[M]- 638.41645 255.7
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.