CID 3022774

93892-38-7

Structural Information

Molecular Formula
C21H26O
SMILES
CC(C1=CC=CC=C1)C2=CC3=C(C=C2O)C(CC3(C)C)(C)C
InChI
InChI=1S/C21H26O/c1-14(15-9-7-6-8-10-15)16-11-17-18(12-19(16)22)21(4,5)13-20(17,2)3/h6-12,14,22H,13H2,1-5H3
InChIKey
QEHZZXVKRGIJPX-UHFFFAOYSA-N
Compound name
1,1,3,3-tetramethyl-6-(1-phenylethyl)-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.19836 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.20564 171.3
[M+Na]+ 317.18758 180.4
[M-H]- 293.19108 178.4
[M+NH4]+ 312.23218 193.6
[M+K]+ 333.16152 175.0
[M+H-H2O]+ 277.19562 165.6
[M+HCOO]- 339.19656 190.3
[M+CH3COO]- 353.21221 204.9
[M+Na-2H]- 315.17303 172.9
[M]+ 294.19781 172.2
[M]- 294.19891 172.2
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.