CID 52924906

Pe(18:0/12:0)

Structural Information

Molecular Formula
C35H70NO8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-19-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1
InChIKey
ZBKPRHNEDZPLBH-MGBGTMOVSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-dodecanoyloxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

663.4839 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.49118 264.5
[M+Na]+ 686.47312 267.5
[M-H]- 662.47662 256.3
[M+NH4]+ 681.51772 268.6
[M+K]+ 702.44706 267.5
[M+H-H2O]+ 646.48116 254.8
[M+HCOO]- 708.48210 265.5
[M+CH3COO]- 722.49775 274.8
[M+Na-2H]- 684.45857 244.6
[M]+ 663.48335 260.7
[M]- 663.48445 260.7
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.