CID 70931

2,5,8,11,14,17-hexaoxaoctadecane

Structural Information

Molecular Formula
C12H26O6
SMILES
COCCOCCOCCOCCOCCOC
InChI
InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3
InChIKey
DMDPGPKXQDIQQG-UHFFFAOYSA-N
Compound name
1-methoxy-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1603
Patents

266.17294 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18022 162.1
[M+Na]+ 289.16216 166.4
[M-H]- 265.16566 161.0
[M+NH4]+ 284.20676 178.5
[M+K]+ 305.13610 167.6
[M+H-H2O]+ 249.17020 155.2
[M+HCOO]- 311.17114 185.3
[M+CH3COO]- 325.18679 197.1
[M+Na-2H]- 287.14761 166.2
[M]+ 266.17239 174.4
[M]- 266.17349 174.4
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