CID 61900

2-octoxyethyl dihydrogen phosphate

Structural Information

Molecular Formula
C10H23O5P
SMILES
CCCCCCCCOCCOP(=O)(O)O
InChI
InChI=1S/C10H23O5P/c1-2-3-4-5-6-7-8-14-9-10-15-16(11,12)13/h2-10H2,1H3,(H2,11,12,13)
InChIKey
LAMZJBOHVLFABB-UHFFFAOYSA-N
Compound name
2-octoxyethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
Patents

254.12831 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13559 163.9
[M+Na]+ 277.11753 168.6
[M-H]- 253.12103 159.4
[M+NH4]+ 272.16213 180.2
[M+K]+ 293.09147 167.5
[M+H-H2O]+ 237.12557 156.4
[M+HCOO]- 299.12651 188.2
[M+CH3COO]- 313.14216 190.6
[M+Na-2H]- 275.10298 165.2
[M]+ 254.12776 170.6
[M]- 254.12886 170.6
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