CID 79718

Heptaethylene glycol

Structural Information

Molecular Formula
C14H30O8
SMILES
C(COCCOCCOCCOCCOCCOCCO)O
InChI
InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2
InChIKey
XPJRQAIZZQMSCM-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

6139
Patents

326.19406 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.201336 174.4
[M+Na]+ 349.183278 176.6
[M-H]- 325.186784 169.9
[M+NH4]+ 344.227883 186.7
[M+K]+ 365.157218 176.7
[M+H-H2O]+ 309.191320 166.9
[M+HCOO]- 371.192261 194.3
[M+CH3COO]- 385.207911 202.0
[M+Na-2H]- 347.168726 176.9
[M]+ 326.19351142 186.5
[M]- 326.19460858 186.5
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