CID 526715

5703-94-6

Structural Information

Molecular Formula
C18H38O5
SMILES
CCCCCCCCCCOCCOCCOCCOCCO
InChI
InChI=1S/C18H38O5/c1-2-3-4-5-6-7-8-9-11-20-13-15-22-17-18-23-16-14-21-12-10-19/h19H,2-18H2,1H3
InChIKey
ASMWIUUCZFNLHL-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

741
Patents

334.2719 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.27918 187.1
[M+Na]+ 357.26112 188.6
[M-H]- 333.26462 183.5
[M+NH4]+ 352.30572 200.2
[M+K]+ 373.23506 186.8
[M+H-H2O]+ 317.26916 179.6
[M+HCOO]- 379.27010 206.6
[M+CH3COO]- 393.28575 210.2
[M+Na-2H]- 355.24657 187.5
[M]+ 334.27135 198.3
[M]- 334.27245 198.3
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