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]+ 327.23186 183.0
[M+Na]+ 349.21380 188.2
[M-H]- 325.21730 189.1
[M+NH4]+ 344.25840 197.3
[M+K]+ 365.18774 184.6
[M+H-H2O]+ 309.22184 174.9
[M+HCOO]- 371.22278 202.5
[M+CH3COO]- 385.23843 212.8
[M+Na-2H]- 347.19925 184.9
[M]+ 326.22403 187.4
[M]- 326.22513 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.