CID 165721

2-decoxyethyl dihydrogen phosphate

Structural Information

Molecular Formula
C12H27O5P
SMILES
CCCCCCCCCCOCCOP(=O)(O)O
InChI
InChI=1S/C12H27O5P/c1-2-3-4-5-6-7-8-9-10-16-11-12-17-18(13,14)15/h2-12H2,1H3,(H2,13,14,15)
InChIKey
PMYUFCGBHZHZNW-UHFFFAOYSA-N
Compound name
2-decoxyethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

282.1596 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16688 173.2
[M+Na]+ 305.14882 177.0
[M-H]- 281.15232 168.3
[M+NH4]+ 300.19342 188.3
[M+K]+ 321.12276 175.4
[M+H-H2O]+ 265.15686 165.3
[M+HCOO]- 327.15780 196.9
[M+CH3COO]- 341.17345 196.6
[M+Na-2H]- 303.13427 173.5
[M]+ 282.15905 180.6
[M]- 282.16015 180.6
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