CID 25245114

Phytyl phosphate

Structural Information

Molecular Formula
C20H41O4P
SMILES
C[C@@H](CCC[C@@H](C)CCC/C(=C/COP(=O)(O)O)/C)CCCC(C)C
InChI
InChI=1S/C20H41O4P/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24-25(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H2,21,22,23)/b20-15+/t18-,19-/m1/s1
InChIKey
YRXRHZOKDFCXIB-PYDDKJGSSA-N
Compound name
[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

376.27426 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.28154 206.6
[M+Na]+ 399.26348 201.7
[M-H]- 375.26698 189.6
[M+NH4]+ 394.30808 198.5
[M+K]+ 415.23742 204.2
[M+H-H2O]+ 359.27152 198.3
[M+HCOO]- 421.27246 201.0
[M+CH3COO]- 435.28811 219.9
[M+Na-2H]- 397.24893 197.8
[M]+ 376.27371 193.8
[M]- 376.27481 193.8
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