CID 134812506

Ps-pa

Structural Information

Molecular Formula
C23H43O10P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC(=O)O
InChI
InChI=1S/C23H43O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)31-18-20(19-32-34(28,29)30)33-23(27)17-16-21(24)25/h20H,2-19H2,1H3,(H,24,25)(H2,28,29,30)/t20-/m1/s1
InChIKey
UFZFMSMBTZNKQT-HXUWFJFHSA-N
Compound name
4-[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]oxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.2594 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.26668 223.2
[M+Na]+ 533.24862 225.4
[M-H]- 509.25212 220.5
[M+NH4]+ 528.29322 228.4
[M+K]+ 549.22256 221.8
[M+H-H2O]+ 493.25666 214.9
[M+HCOO]- 555.25760 226.6
[M+CH3COO]- 569.27325 236.1
[M+Na-2H]- 531.23407 207.8
[M]+ 510.25885 221.0
[M]- 510.25995 221.0
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.