CID 134812279

Pe(12:0(11me)/14:0(13me))

Structural Information

Molecular Formula
C33H66NO8P
SMILES
CC(C)CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OCCN
InChI
InChI=1S/C33H66NO8P/c1-29(2)21-17-13-9-6-5-7-11-16-20-24-33(36)42-31(28-41-43(37,38)40-26-25-34)27-39-32(35)23-19-15-12-8-10-14-18-22-30(3)4/h29-31H,5-28,34H2,1-4H3,(H,37,38)/t31-/m1/s1
InChIKey
DWHVDCTVHOMJGP-WJOKGBTCSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-(11-methyldodecanoyloxy)propan-2-yl] 13-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

635.4526 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.45988 256.0
[M+Na]+ 658.44182 260.4
[M-H]- 634.44532 251.7
[M+NH4]+ 653.48642 263.4
[M+K]+ 674.41576 260.6
[M+H-H2O]+ 618.44986 247.8
[M+HCOO]- 680.45080 253.0
[M+CH3COO]- 694.46645 270.7
[M+Na-2H]- 656.42727 238.4
[M]+ 635.45205 252.8
[M]- 635.45315 252.8
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.