CID 52924934

Pe(15:0/13:0)

Structural Information

Molecular Formula
C33H66NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-17-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1
InChIKey
OQCQVKVTNLBGLS-WJOKGBTCSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tridecanoyloxypropyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

635.4526 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.45988 257.7
[M+Na]+ 658.44182 261.1
[M-H]- 634.44532 250.4
[M+NH4]+ 653.48642 261.9
[M+K]+ 674.41576 260.3
[M+H-H2O]+ 618.44986 248.3
[M+HCOO]- 680.45080 259.5
[M+CH3COO]- 694.46645 269.4
[M+Na-2H]- 656.42727 238.7
[M]+ 635.45205 253.9
[M]- 635.45315 253.9
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.