CID 42607468

Pe(o-18:1(9z)/0:0)

Structural Information

Molecular Formula
C23H48NO6P
SMILES
CCCCCCCC/C=C\CCCCCCCCOC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C23H48NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23(25)22-30-31(26,27)29-20-18-24/h9-10,23,25H,2-8,11-22,24H2,1H3,(H,26,27)/b10-9-/t23-/m1/s1
InChIKey
CDONWGCJDDHTLP-DJYGDJEFSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-[(Z)-octadec-9-enoxy]propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

465.32193 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.32921 218.5
[M+Na]+ 488.31115 222.0
[M-H]- 464.31465 209.4
[M+NH4]+ 483.35575 215.6
[M+K]+ 504.28509 216.7
[M+H-H2O]+ 448.31919 207.5
[M+HCOO]- 510.32013 226.5
[M+CH3COO]- 524.33578 235.0
[M+Na-2H]- 486.29660 202.1
[M]+ 465.32138 212.4
[M]- 465.32248 212.4
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

patents stripe