CID 21989361

Nonapropylene glycol

Structural Information

Molecular Formula
C27H56O10
SMILES
CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
InChI
InChI=1S/C27H56O10/c1-19(29)11-30-21(3)13-32-23(5)15-34-25(7)17-36-27(9)18-37-26(8)16-35-24(6)14-33-22(4)12-31-20(2)10-28/h19-29H,10-18H2,1-9H3
InChIKey
DXVLAUMXGHQKAV-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1147
Patents

540.3873 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.39458 243.2
[M+Na]+ 563.37652 247.1
[M-H]- 539.38002 242.0
[M+NH4]+ 558.42112 255.3
[M+K]+ 579.35046 248.9
[M+H-H2O]+ 523.38456 246.9
[M+HCOO]- 585.38550 230.6
[M+CH3COO]- 599.40115 250.4
[M+Na-2H]- 561.36197 230.4
[M]+ 540.38675 244.4
[M]- 540.38785 244.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe