CID 76942

Ether, o-tolyl p-tolyl

Structural Information

Molecular Formula
C14H14O
SMILES
CC1=CC=C(C=C1)OC2=CC=CC=C2C
InChI
InChI=1S/C14H14O/c1-11-7-9-13(10-8-11)15-14-6-4-3-5-12(14)2/h3-10H,1-2H3
InChIKey
WJPVFWSONCRYGL-UHFFFAOYSA-N
Compound name
1-methyl-2-(4-methylphenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

198.10446 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11174 143.3
[M+Na]+ 221.09368 159.7
[M+NH4]+ 216.13828 153.5
[M+K]+ 237.06762 150.8
[M-H]- 197.09718 149.2
[M+Na-2H]- 219.07913 154.3
[M]+ 198.10391 147.6
[M]- 198.10501 147.6
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