CID 10355360

2-methyl-7-(4'-tert-butylphenyl)indene

Structural Information

Molecular Formula
C20H22
SMILES
CC1=CC2=C(C1)C(=CC=C2)C3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C20H22/c1-14-12-16-6-5-7-18(19(16)13-14)15-8-10-17(11-9-15)20(2,3)4/h5-12H,13H2,1-4H3
InChIKey
PTXKTRAWAVSZKX-UHFFFAOYSA-N
Compound name
7-(4-tert-butylphenyl)-2-methyl-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

262.17215 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.179426 164.3
[M+Na]+ 285.161368 173.1
[M-H]- 261.164874 172.5
[M+NH4]+ 280.205973 184.6
[M+K]+ 301.135308 167.7
[M+H-H2O]+ 245.169410 157.9
[M+HCOO]- 307.170351 185.7
[M+CH3COO]- 321.186001 200.7
[M+Na-2H]- 283.146816 168.1
[M]+ 262.17160142 165.6
[M]- 262.17269858 165.6
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