CID 116552

Octacosyl phosphate

Structural Information

Molecular Formula
C28H59O4P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChI
InChI=1S/C28H59O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-33(29,30)31/h2-28H2,1H3,(H2,29,30,31)
InChIKey
QXHVOXBWUFHWDW-UHFFFAOYSA-N
Compound name
octacosyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

490.4151 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.42238 230.1
[M+Na]+ 513.40432 231.8
[M-H]- 489.40782 213.6
[M+NH4]+ 508.44892 225.7
[M+K]+ 529.37826 230.1
[M+H-H2O]+ 473.41236 219.2
[M+HCOO]- 535.41330 240.4
[M+CH3COO]- 549.42895 241.8
[M+Na-2H]- 511.38977 212.0
[M]+ 490.41455 227.1
[M]- 490.41565 227.1
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