CID 41823

Brn 1971704

Structural Information

Molecular Formula
C19H24O
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(C)C
InChI
InChI=1S/C19H24O/c1-5-20-18-12-10-17(11-13-18)19(14(2)3)16-8-6-15(4)7-9-16/h6-14,19H,5H2,1-4H3
InChIKey
ZZRKZECQKCVLKU-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2-methyl-1-(4-methylphenyl)propyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1827 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.18998 165.7
[M+Na]+ 291.17192 171.4
[M-H]- 267.17542 172.0
[M+NH4]+ 286.21652 182.2
[M+K]+ 307.14586 167.9
[M+H-H2O]+ 251.17996 158.0
[M+HCOO]- 313.18090 186.6
[M+CH3COO]- 327.19655 203.0
[M+Na-2H]- 289.15737 167.2
[M]+ 268.18215 167.5
[M]- 268.18325 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

No patent data available for this compound.