CID 52925134

Pe(15:1(9z)/0:0)

Structural Information

Molecular Formula
C20H40NO7P
SMILES
CCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C20H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21/h6-7,19,22H,2-5,8-18,21H2,1H3,(H,24,25)/b7-6-/t19-/m1/s1
InChIKey
MTAKQPCXFDXVHS-LIXSYLKWSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-pentadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.25424 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.26152 207.5
[M+Na]+ 460.24346 212.2
[M-H]- 436.24696 202.6
[M+NH4]+ 455.28806 207.5
[M+K]+ 476.21740 205.6
[M+H-H2O]+ 420.25150 197.8
[M+HCOO]- 482.25244 215.3
[M+CH3COO]- 496.26809 227.6
[M+Na-2H]- 458.22891 193.4
[M]+ 437.25369 201.9
[M]- 437.25479 201.9
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.