CID 8177

2-(2-butoxyethoxy)ethanol

Structural Information

Molecular Formula
C8H18O3
SMILES
CCCCOCCOCCO
InChI
InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
InChIKey
OAYXUHPQHDHDDZ-UHFFFAOYSA-N
Compound name
2-(2-butoxyethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

32
References

72734
Patents

162.1256 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.13288 136.2
[M+Na]+ 185.11482 145.4
[M+NH4]+ 180.15942 143.2
[M+K]+ 201.08876 139.9
[M-H]- 161.11832 134.7
[M+Na-2H]- 183.10027 138.9
[M]+ 162.12505 136.8
[M]- 162.12615 136.8
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