CID 62008

2-hexadecoxyethyl dihydrogen phosphate

Structural Information

Molecular Formula
C18H39O5P
SMILES
CCCCCCCCCCCCCCCCOCCOP(=O)(O)O
InChI
InChI=1S/C18H39O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-18-23-24(19,20)21/h2-18H2,1H3,(H2,19,20,21)
InChIKey
OLORIKAYHUAJHN-UHFFFAOYSA-N
Compound name
2-hexadecoxyethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

92
Patents

366.2535 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.26078 200.6
[M+Na]+ 389.24272 201.9
[M-H]- 365.24622 194.6
[M+NH4]+ 384.28732 193.0
[M+K]+ 405.21666 198.8
[M+H-H2O]+ 349.25076 191.5
[M+HCOO]- 411.25170 210.5
[M+CH3COO]- 425.26735 214.5
[M+Na-2H]- 387.22817 197.9
[M]+ 366.25295 210.3
[M]- 366.25405 210.3
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