CID 278437

1,2-di-p-tolyloxyethane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1726
Patents

242.13068 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13796 155.2
[M+Na]+ 265.11990 162.8
[M-H]- 241.12340 162.0
[M+NH4]+ 260.16450 172.9
[M+K]+ 281.09384 159.6
[M+H-H2O]+ 225.12794 147.6
[M+HCOO]- 287.12888 179.4
[M+CH3COO]- 301.14453 194.4
[M+Na-2H]- 263.10535 160.8
[M]+ 242.13013 158.6
[M]- 242.13123 158.6
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