CID 3047068

62897-76-1

Structural Information

Molecular Formula
C22H30O2
SMILES
CCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(C)(C)C
InChI
InChI=1S/C22H30O2/c1-6-16-24-20-14-10-18(11-15-20)21(22(3,4)5)17-8-12-19(13-9-17)23-7-2/h8-15,21H,6-7,16H2,1-5H3
InChIKey
PSMUEUFEKRZZHM-UHFFFAOYSA-N
Compound name
1-[2,2-dimethyl-1-(4-propoxyphenyl)propyl]-4-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.22458 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.231856 183.0
[M+Na]+ 349.213798 188.2
[M-H]- 325.217304 189.1
[M+NH4]+ 344.258403 197.3
[M+K]+ 365.187738 184.6
[M+H-H2O]+ 309.221840 174.9
[M+HCOO]- 371.222781 202.5
[M+CH3COO]- 385.238431 212.8
[M+Na-2H]- 347.199246 184.9
[M]+ 326.22403142 187.4
[M]- 326.22512858 187.4
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

No patent data available for this compound.