CID 3017982

3,3,6,7-tetramethylindan-5-ol

Structural Information

Molecular Formula
C13H18O
SMILES
CC1=C2CCC(C2=CC(=C1C)O)(C)C
InChI
InChI=1S/C13H18O/c1-8-9(2)12(14)7-11-10(8)5-6-13(11,3)4/h7,14H,5-6H2,1-4H3
InChIKey
QACSMPNJLJBVQD-UHFFFAOYSA-N
Compound name
3,3,6,7-tetramethyl-1,2-dihydroinden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

190.13577 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.143046 141.1
[M+Na]+ 213.124988 151.6
[M-H]- 189.128494 145.4
[M+NH4]+ 208.169593 166.2
[M+K]+ 229.098928 147.9
[M+H-H2O]+ 173.133030 137.5
[M+HCOO]- 235.133971 162.4
[M+CH3COO]- 249.149621 184.7
[M+Na-2H]- 211.110436 145.1
[M]+ 190.13522142 142.0
[M]- 190.13631858 142.0
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