CID 116488

[2-(2-ethoxyethoxy)ethoxy]benzene

Structural Information

Molecular Formula
C12H18O3
SMILES
CCOCCOCCOC1=CC=CC=C1
InChI
InChI=1S/C12H18O3/c1-2-13-8-9-14-10-11-15-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKey
VOLUQLBPFZVGEH-UHFFFAOYSA-N
Compound name
2-(2-ethoxyethoxy)ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

210.1256 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13288 147.4
[M+Na]+ 233.11482 153.4
[M-H]- 209.11832 150.3
[M+NH4]+ 228.15942 166.1
[M+K]+ 249.08876 152.3
[M+H-H2O]+ 193.12286 140.6
[M+HCOO]- 255.12380 171.7
[M+CH3COO]- 269.13945 186.4
[M+Na-2H]- 231.10027 154.0
[M]+ 210.12505 152.7
[M]- 210.12615 152.7
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