CID 134818028

1477494-87-3

Structural Information

Molecular Formula
C18H39O8P
SMILES
CCCCOCCOP(=O)(OCCOCCCC)OCCOCCC(C)O
InChI
InChI=1S/C18H39O8P/c1-4-6-9-21-12-15-24-27(20,25-16-13-22-10-7-5-2)26-17-14-23-11-8-18(3)19/h18-19H,4-17H2,1-3H3
InChIKey
ZYWDPVGRFHQPGL-UHFFFAOYSA-N
Compound name
bis(2-butoxyethyl) 2-(3-hydroxybutoxy)ethyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

414.23825 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.24553 206.7
[M+Na]+ 437.22747 209.8
[M-H]- 413.23097 198.8
[M+NH4]+ 432.27207 209.6
[M+K]+ 453.20141 203.9
[M+H-H2O]+ 397.23551 199.5
[M+HCOO]- 459.23645 220.4
[M+CH3COO]- 473.25210 223.6
[M+Na-2H]- 435.21292 192.8
[M]+ 414.23770 206.5
[M]- 414.23880 206.5
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.