CID 169815

7-[2-(2-hydroxymethylethoxy)methylethoxy]tetramethyl-3,6,8,11-tetraoxa-7-phosphatridecane-1,13-diol

Structural Information

Molecular Formula
C18H39O9P
SMILES
CC(COCCCO)OP(OCCOCCO)OCCOC(C)(C)C(C)(C)O
InChI
InChI=1S/C18H39O9P/c1-16(15-23-9-6-7-19)27-28(25-13-11-22-10-8-20)26-14-12-24-18(4,5)17(2,3)21/h16,19-21H,6-15H2,1-5H3
InChIKey
UWZDFCRDAZFRFU-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyethyl 2-(2-hydroxyethoxy)ethyl 1-(3-hydroxypropoxy)propan-2-yl phosphite
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

430.2332 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.24048 205.1
[M+Na]+ 453.22242 205.3
[M-H]- 429.22592 200.3
[M+NH4]+ 448.26702 206.8
[M+K]+ 469.19636 201.7
[M+H-H2O]+ 413.23046 194.3
[M+HCOO]- 475.23140 213.2
[M+CH3COO]- 489.24705 223.0
[M+Na-2H]- 451.20787 190.0
[M]+ 430.23265 204.6
[M]- 430.23375 204.6
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