CID 34078

Gh 44

Structural Information

Molecular Formula
C21H28O2
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(C)(C)C
InChI
InChI=1S/C21H28O2/c1-6-22-18-12-8-16(9-13-18)20(21(3,4)5)17-10-14-19(15-11-17)23-7-2/h8-15,20H,6-7H2,1-5H3
InChIKey
YISAFEWRNHHIJC-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[1-(4-ethoxyphenyl)-2,2-dimethylpropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.20892 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.21620 178.5
[M+Na]+ 335.19814 192.2
[M+NH4]+ 330.24274 186.6
[M+K]+ 351.17208 184.3
[M-H]- 311.20164 182.7
[M+Na-2H]- 333.18359 186.7
[M]+ 312.20837 181.9
[M]- 312.20947 181.9
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

No patent data available for this compound.