CID 17980405

2-isopropyl-4-(4'-tert-butylphenyl)indene

Structural Information

Molecular Formula
C22H26
SMILES
CC(C)C1=CC2=C(C1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C22H26/c1-15(2)18-13-17-7-6-8-20(21(17)14-18)16-9-11-19(12-10-16)22(3,4)5/h6-12,14-15H,13H2,1-5H3
InChIKey
USIUHLMMAVXYLQ-UHFFFAOYSA-N
Compound name
4-(4-tert-butylphenyl)-2-propan-2-yl-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

290.20346 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.21074 173.4
[M+Na]+ 313.19268 181.0
[M-H]- 289.19618 181.3
[M+NH4]+ 308.23728 192.4
[M+K]+ 329.16662 175.6
[M+H-H2O]+ 273.20072 166.8
[M+HCOO]- 335.20166 193.1
[M+CH3COO]- 349.21731 207.5
[M+Na-2H]- 311.17813 175.0
[M]+ 290.20291 174.8
[M]- 290.20401 174.8
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