CID 52929502

Pa(16:0/15:0)

Structural Information

Molecular Formula
C34H67O8P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C34H67O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(35)40-30-32(31-41-43(37,38)39)42-34(36)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H2,37,38,39)/t32-/m1/s1
InChIKey
CUTRUVAFYRBETA-JGCGQSQUSA-N
Compound name
[(2R)-2-pentadecanoyloxy-3-phosphonooxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

634.45734 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.46462 258.0
[M+Na]+ 657.44656 259.3
[M-H]- 633.45006 248.1
[M+NH4]+ 652.49116 261.9
[M+K]+ 673.42050 260.3
[M+H-H2O]+ 617.45460 248.8
[M+HCOO]- 679.45554 260.5
[M+CH3COO]- 693.47119 265.1
[M+Na-2H]- 655.43201 238.4
[M]+ 634.45679 256.2
[M]- 634.45789 256.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe