CID 62551

Pentaethylene glycol

Structural Information

Molecular Formula
C10H22O6
SMILES
C(COCCOCCOCCOCCO)O
InChI
InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
InChIKey
JLFNLZLINWHATN-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

31633
Patents

238.14163 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.148906 153.7
[M+Na]+ 261.130848 158.0
[M-H]- 237.134354 150.1
[M+NH4]+ 256.175453 169.8
[M+K]+ 277.104788 157.8
[M+H-H2O]+ 221.138890 147.5
[M+HCOO]- 283.139831 174.5
[M+CH3COO]- 297.155481 186.0
[M+Na-2H]- 259.116296 157.8
[M]+ 238.14108142 161.4
[M]- 238.14217858 161.4
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