CID 131822369

Pa(a-13:0/i-22:0)

Structural Information

Molecular Formula
C38H75O8P
SMILES
CCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C38H75O8P/c1-5-35(4)29-25-21-18-19-22-26-30-37(39)44-32-36(33-45-47(41,42)43)46-38(40)31-27-23-17-15-13-11-9-7-6-8-10-12-14-16-20-24-28-34(2)3/h34-36H,5-33H2,1-4H3,(H2,41,42,43)/t35?,36-/m1/s1
InChIKey
KPJKIUPEABLHGA-BEBVUIBBSA-N
Compound name
[(2R)-1-(10-methyldodecanoyloxy)-3-phosphonooxypropan-2-yl] 20-methylhenicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

690.51996 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 691.52724 273.5
[M+Na]+ 713.50918 273.8
[M+NH4]+ 708.55378 279.1
[M+K]+ 729.48312 274.6
[M-H]- 689.51268 263.6
[M+Na-2H]- 711.49463 272.8
[M]+ 690.51941 271.6
[M]- 690.52051 271.6
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.