CID 131841374

Pe(14:0/16:0(9cp))

Structural Information

Molecular Formula
C36H70NO8P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC
InChI
InChI=1S/C36H70NO8P/c1-3-5-7-9-10-11-12-13-14-17-21-25-35(38)42-30-34(31-44-46(40,41)43-28-27-37)45-36(39)26-22-18-15-16-20-24-33-29-32(33)23-19-8-6-4-2/h32-34H,3-31,37H2,1-2H3,(H,40,41)/t32-,33+,34+/m0/s1
InChIKey
XZKIADFNBVEUKL-LBFZIJHGSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[8-[(1R,2S)-2-hexylcyclopropyl]octanoyloxy]propyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

675.4839 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 676.49118 264.6
[M+Na]+ 698.47312 269.1
[M-H]- 674.47662 256.0
[M+NH4]+ 693.51772 269.1
[M+K]+ 714.44706 268.1
[M+H-H2O]+ 658.48116 256.3
[M+HCOO]- 720.48210 268.5
[M+CH3COO]- 734.49775 276.5
[M+Na-2H]- 696.45857 246.6
[M]+ 675.48335 267.1
[M]- 675.48445 267.1
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.