CID 101592

1,1-bis(phenethyloxy)ethane

Structural Information

Molecular Formula
C18H22O2
SMILES
CC(OCCC1=CC=CC=C1)OCCC2=CC=CC=C2
InChI
InChI=1S/C18H22O2/c1-16(19-14-12-17-8-4-2-5-9-17)20-15-13-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3
InChIKey
JBMMTNRBVCXMHJ-UHFFFAOYSA-N
Compound name
2-[1-(2-phenylethoxy)ethoxy]ethylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

78
Patents

270.162 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 165.7
[M+Na]+ 293.15122 170.1
[M-H]- 269.15472 171.3
[M+NH4]+ 288.19582 181.4
[M+K]+ 309.12516 166.8
[M+H-H2O]+ 253.15926 157.3
[M+HCOO]- 315.16020 188.1
[M+CH3COO]- 329.17585 198.9
[M+Na-2H]- 291.13667 170.2
[M]+ 270.16145 168.3
[M]- 270.16255 168.3
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