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

135
Patents

262.17215 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17943 164.3
[M+Na]+ 285.16137 173.1
[M-H]- 261.16487 172.5
[M+NH4]+ 280.20597 184.6
[M+K]+ 301.13531 167.7
[M+H-H2O]+ 245.16941 157.9
[M+HCOO]- 307.17035 185.7
[M+CH3COO]- 321.18600 200.7
[M+Na-2H]- 283.14682 168.1
[M]+ 262.17160 165.6
[M]- 262.17270 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