CID 131822469

Pa(i-14:0/a-17:0)

Structural Information

Molecular Formula
C34H67O8P
SMILES
CCC(C)CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C34H67O8P/c1-5-31(4)25-21-17-13-8-6-7-9-15-19-23-27-34(36)42-32(29-41-43(37,38)39)28-40-33(35)26-22-18-14-11-10-12-16-20-24-30(2)3/h30-32H,5-29H2,1-4H3,(H2,37,38,39)/t31?,32-/m1/s1
InChIKey
RDXHPOCTKISGCQ-IADGFXSZSA-N
Compound name
[(2R)-1-(12-methyltridecanoyloxy)-3-phosphonooxypropan-2-yl] 14-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

634.45734 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.46462 256.9
[M+Na]+ 657.44656 259.3
[M-H]- 633.45006 250.1
[M+NH4]+ 652.49116 264.0
[M+K]+ 673.42050 261.3
[M+H-H2O]+ 617.45460 248.9
[M+HCOO]- 679.45554 254.6
[M+CH3COO]- 693.47119 266.4
[M+Na-2H]- 655.43201 238.7
[M]+ 634.45679 255.7
[M]- 634.45789 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.