CID 18402850

6-tert-butyl-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C13H18O
SMILES
CC(C)(C)C1=CC2=C(CCC2O)C=C1
InChI
InChI=1S/C13H18O/c1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10/h4,6,8,12,14H,5,7H2,1-3H3
InChIKey
ZFVNKELWXMPTGU-UHFFFAOYSA-N
Compound name
6-tert-butyl-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

190.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14305 144.2
[M+Na]+ 213.12499 152.2
[M-H]- 189.12849 147.6
[M+NH4]+ 208.16959 166.8
[M+K]+ 229.09893 149.0
[M+H-H2O]+ 173.13303 139.9
[M+HCOO]- 235.13397 163.8
[M+CH3COO]- 249.14962 182.5
[M+Na-2H]- 211.11044 148.9
[M]+ 190.13522 143.4
[M]- 190.13632 143.4
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