CID 4867

Nonaethylene glycol

Structural Information

Molecular Formula
C18H38O10
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCO)O
InChI
InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2
InChIKey
YZUUTMGDONTGTN-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

6157
Patents

414.2465 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.25378 211.5
[M+Na]+ 437.23572 212.6
[M-H]- 413.23922 200.7
[M+NH4]+ 432.28032 209.8
[M+K]+ 453.20966 205.8
[M+H-H2O]+ 397.24376 184.7
[M+HCOO]- 459.24470 223.9
[M+CH3COO]- 473.26035 217.6
[M+Na-2H]- 435.22117 194.7
[M]+ 414.24595 211.1
[M]- 414.24705 211.1
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