CID 97354

1,2-bis(m-tolyloxy)ethane

Structural Information

Molecular Formula
C16H18O2
SMILES
CC1=CC(=CC=C1)OCCOC2=CC=CC(=C2)C
InChI
InChI=1S/C16H18O2/c1-13-5-3-7-15(11-13)17-9-10-18-16-8-4-6-14(2)12-16/h3-8,11-12H,9-10H2,1-2H3
InChIKey
OAGNKYSIOSDNIG-UHFFFAOYSA-N
Compound name
1-methyl-3-[2-(3-methylphenoxy)ethoxy]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4264
Patents

242.13068 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13796 155.8
[M+Na]+ 265.11990 171.3
[M+NH4]+ 260.16450 165.1
[M+K]+ 281.09384 162.5
[M-H]- 241.12340 161.1
[M+Na-2H]- 263.10535 165.8
[M]+ 242.13013 159.8
[M]- 242.13123 159.8
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

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