CID 9546801

1,2-dilauroyl-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C29H58NO8P
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)/t27-/m1/s1
InChIKey
ZLGYVWRJIZPQMM-HHHXNRCGSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-dodecanoyloxypropyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5370
Patents

579.39 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.39728 244.0
[M+Na]+ 602.37922 248.1
[M-H]- 578.38272 238.2
[M+NH4]+ 597.42382 248.3
[M+K]+ 618.35316 245.6
[M+H-H2O]+ 562.38726 235.0
[M+HCOO]- 624.38820 247.4
[M+CH3COO]- 638.40385 258.3
[M+Na-2H]- 600.36467 226.7
[M]+ 579.38945 240.0
[M]- 579.39055 240.0
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