CID 17754289

Oleth-3 phosphate

Structural Information

Molecular Formula
C24H49O7P
SMILES
CCCCCCCC/C=C\CCCCCCCCOCCOCCOCCOP(=O)(O)O
InChI
InChI=1S/C24H49O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-19-20-29-21-22-30-23-24-31-32(25,26)27/h9-10H,2-8,11-24H2,1H3,(H2,25,26,27)/b10-9-
InChIKey
PWQNOLAKMCLNJI-KTKRTIGZSA-N
Compound name
2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1559
Patents

480.3216 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.32888 222.3
[M+Na]+ 503.31082 223.8
[M-H]- 479.31432 210.2
[M+NH4]+ 498.35542 220.6
[M+K]+ 519.28476 219.6
[M+H-H2O]+ 463.31886 212.4
[M+HCOO]- 525.31980 235.1
[M+CH3COO]- 539.33545 234.4
[M+Na-2H]- 501.29627 205.2
[M]+ 480.32105 219.7
[M]- 480.32215 219.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe