CID 21888598

50586-59-9

Structural Information

Molecular Formula
C12H26O6
SMILES
CCC(COCCO)(COCCO)COCCO
InChI
InChI=1S/C12H26O6/c1-2-12(9-16-6-3-13,10-17-7-4-14)11-18-8-5-15/h13-15H,2-11H2,1H3
InChIKey
GBDSXXVXXJCALK-UHFFFAOYSA-N
Compound name
2-[2,2-bis(2-hydroxyethoxymethyl)butoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

266.17294 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18022 164.1
[M+Na]+ 289.16216 167.5
[M-H]- 265.16566 159.0
[M+NH4]+ 284.20676 178.5
[M+K]+ 305.13610 166.4
[M+H-H2O]+ 249.17020 158.5
[M+HCOO]- 311.17114 181.1
[M+CH3COO]- 325.18679 189.9
[M+Na-2H]- 287.14761 167.5
[M]+ 266.17239 170.1
[M]- 266.17349 170.1
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