CID 112379

70198-18-4

Structural Information

Molecular Formula
C25H53O8P
SMILES
CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOP(=O)(O)O
InChI
InChI=1S/C25H53O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-18-19-30-20-21-31-22-23-32-24-25-33-34(26,27)28/h2-25H2,1H3,(H2,26,27,28)
InChIKey
MPESRJWPJGWNME-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

512.3478 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.35508 231.8
[M+Na]+ 535.33702 231.9
[M-H]- 511.34052 219.1
[M+NH4]+ 530.38162 230.4
[M+K]+ 551.31096 228.5
[M+H-H2O]+ 495.34506 221.8
[M+HCOO]- 557.34600 243.2
[M+CH3COO]- 571.36165 240.6
[M+Na-2H]- 533.32247 213.2
[M]+ 512.34725 229.6
[M]- 512.34835 229.6
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