CID 104568

6-(tert-butyl)-1,1,3,3-tetramethylindan-5-ol

Structural Information

Molecular Formula
C17H26O
SMILES
CC1(CC(C2=CC(=C(C=C21)C(C)(C)C)O)(C)C)C
InChI
InChI=1S/C17H26O/c1-15(2,3)13-8-11-12(9-14(13)18)17(6,7)10-16(11,4)5/h8-9,18H,10H2,1-7H3
InChIKey
PMNVVCYFXVWMON-UHFFFAOYSA-N
Compound name
6-tert-butyl-1,1,3,3-tetramethyl-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

246.19836 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.205636 157.1
[M+Na]+ 269.187578 167.3
[M-H]- 245.191084 161.3
[M+NH4]+ 264.232183 182.1
[M+K]+ 285.161518 163.4
[M+H-H2O]+ 229.195620 154.3
[M+HCOO]- 291.196561 175.4
[M+CH3COO]- 305.212211 196.2
[M+Na-2H]- 267.173026 161.4
[M]+ 246.19781142 159.3
[M]- 246.19890858 159.3
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