CID 165415702

Lpe(o-16:1/0:0)

Structural Information

Molecular Formula
C21H44NO6P
SMILES
CCCCCC/C=C\CCCCCCCCOC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-19-21(23)20-28-29(24,25)27-18-16-22/h7-8,21,23H,2-6,9-20,22H2,1H3,(H,24,25)/b8-7-/t21-/m1/s1
InChIKey
RRTPYUGIBQLEDN-GIWCCYDRSA-N
Compound name
2-aminoethyl [(2R)-3-[(Z)-hexadec-9-enoxy]-2-hydroxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.29062 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.29790 211.2
[M+Na]+ 460.27984 215.2
[M-H]- 436.28334 203.0
[M+NH4]+ 455.32444 208.5
[M+K]+ 476.25378 209.0
[M+H-H2O]+ 420.28788 200.6
[M+HCOO]- 482.28882 220.1
[M+CH3COO]- 496.30447 229.2
[M+Na-2H]- 458.26529 195.9
[M]+ 437.29007 205.3
[M]- 437.29117 205.3
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.