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]+ 191.143046 144.2
[M+Na]+ 213.124988 152.2
[M-H]- 189.128494 147.6
[M+NH4]+ 208.169593 166.8
[M+K]+ 229.098928 149.0
[M+H-H2O]+ 173.133030 139.9
[M+HCOO]- 235.133971 163.8
[M+CH3COO]- 249.149621 182.5
[M+Na-2H]- 211.110436 148.9
[M]+ 190.13522142 143.4
[M]- 190.13631858 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