CID 82135

1,1'-oxybis(3,4-xylyl)

Structural Information

Molecular Formula
C16H18O
SMILES
CC1=C(C=C(C=C1)OC2=CC(=C(C=C2)C)C)C
InChI
InChI=1S/C16H18O/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
InChIKey
WALWGRCDMVAPAF-UHFFFAOYSA-N
Compound name
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1056
Patents

226.13577 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.143046 150.3
[M+Na]+ 249.124988 159.9
[M-H]- 225.128494 157.9
[M+NH4]+ 244.169593 169.4
[M+K]+ 265.098928 156.3
[M+H-H2O]+ 209.133030 143.5
[M+HCOO]- 271.133971 174.3
[M+CH3COO]- 285.149621 194.7
[M+Na-2H]- 247.110436 154.6
[M]+ 226.13522142 153.1
[M]- 226.13631858 153.1
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