CID 175685062

2-(2-butoxyethoxy)ethyl (4-(4-hydroxybutoxy)butyl) hydrogen phosphate

Structural Information

Molecular Formula
C16H35O8P
SMILES
CCCCOCCOCCOP(=O)(O)OCCCCOCCCCO
InChI
InChI=1S/C16H35O8P/c1-2-3-9-21-13-14-22-15-16-24-25(18,19)23-12-7-6-11-20-10-5-4-8-17/h17H,2-16H2,1H3,(H,18,19)
InChIKey
HEQRJSQCIJLLAX-UHFFFAOYSA-N
Compound name
2-(2-butoxyethoxy)ethyl 4-(4-hydroxybutoxy)butyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.20697 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21425 198.2
[M+Na]+ 409.19619 200.1
[M-H]- 385.19969 189.1
[M+NH4]+ 404.24079 197.3
[M+K]+ 425.17013 193.0
[M+H-H2O]+ 369.20423 186.2
[M+HCOO]- 431.20517 213.4
[M+CH3COO]- 445.22082 214.6
[M+Na-2H]- 407.18164 183.9
[M]+ 386.20642 196.6
[M]- 386.20752 196.6
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

No patent data available for this compound.