CID 111502

Eicosyl phosphate

Structural Information

Molecular Formula
C20H43O4P
SMILES
CCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChI
InChI=1S/C20H43O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23/h2-20H2,1H3,(H2,21,22,23)
InChIKey
XGIDNLGWAKKYQJ-UHFFFAOYSA-N
Compound name
icosyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

294
Patents

378.2899 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.29718 207.7
[M+Na]+ 401.27912 208.3
[M-H]- 377.28262 201.3
[M+NH4]+ 396.32372 196.9
[M+K]+ 417.25306 204.1
[M+H-H2O]+ 361.28716 198.5
[M+HCOO]- 423.28810 214.4
[M+CH3COO]- 437.30375 218.4
[M+Na-2H]- 399.26457 203.7
[M]+ 378.28935 216.7
[M]- 378.29045 216.7
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