CID 146014788

All-trans-hexaprenyl phosphate

Structural Information

Molecular Formula
C30H51O4P
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)O)/C)/C)/C)/C)/C)C
InChI
InChI=1S/C30H51O4P/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-34-35(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H2,31,32,33)/b26-15+,27-17+,28-19+,29-21+,30-23+
InChIKey
YTOYOTOIGWLULD-MMSZMYIBSA-N
Compound name
[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.3525 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.35978 219.0
[M+Na]+ 529.34172 227.2
[M-H]- 505.34522 216.2
[M+NH4]+ 524.38632 226.3
[M+K]+ 545.31566 226.7
[M+H-H2O]+ 489.34976 211.9
[M+HCOO]- 551.35070 219.8
[M+CH3COO]- 565.36635 243.0
[M+Na-2H]- 527.32717 207.5
[M]+ 506.35195 215.8
[M]- 506.35305 215.8
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.