CID 67187940

Bzxocdgswrqdqb-uhfffaoysa-n

Structural Information

Molecular Formula
C20H41O5P
SMILES
CCCCCCCC/C=C\CCCCCCCCOCCOP(=O)(O)O
InChI
InChI=1S/C20H41O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20-25-26(21,22)23/h9-10H,2-8,11-20H2,1H3,(H2,21,22,23)/b10-9-
InChIKey
BZXOCDGSWRQDQB-KTKRTIGZSA-N
Compound name
2-[(Z)-octadec-9-enoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

37
Patents

392.26917 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.27645 208.0
[M+Na]+ 415.25839 204.6
[M-H]- 391.26189 189.5
[M+NH4]+ 410.30299 198.3
[M+K]+ 431.23233 204.7
[M+H-H2O]+ 375.26643 198.7
[M+HCOO]- 437.26737 215.7
[M+CH3COO]- 451.28302 218.9
[M+Na-2H]- 413.24384 204.4
[M]+ 392.26862 198.9
[M]- 392.26972 198.9
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

patents stripe