CID 94914

4741-75-7

Structural Information

Molecular Formula
C18H22O2
SMILES
CC(C)C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H22O2/c1-13(2)18(14-5-9-16(19-3)10-6-14)15-7-11-17(20-4)12-8-15/h5-13,18H,1-4H3
InChIKey
AAIMXWKRWRKLOT-UHFFFAOYSA-N
Compound name
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylpropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

270.162 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 164.6
[M+Na]+ 293.15122 170.7
[M-H]- 269.15472 171.2
[M+NH4]+ 288.19582 180.9
[M+K]+ 309.12516 168.1
[M+H-H2O]+ 253.15926 156.8
[M+HCOO]- 315.16020 186.1
[M+CH3COO]- 329.17585 202.0
[M+Na-2H]- 291.13667 166.6
[M]+ 270.16145 167.5
[M]- 270.16255 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe