CID 104567

1,1,3,3-tetramethylindan-5-ol

Structural Information

Molecular Formula
C13H18O
SMILES
CC1(CC(C2=C1C=CC(=C2)O)(C)C)C
InChI
InChI=1S/C13H18O/c1-12(2)8-13(3,4)11-7-9(14)5-6-10(11)12/h5-7,14H,8H2,1-4H3
InChIKey
OJCRKGPORQMMRN-UHFFFAOYSA-N
Compound name
1,1,3,3-tetramethyl-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

190.13577 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14305 140.6
[M+Na]+ 213.12499 151.2
[M-H]- 189.12849 144.9
[M+NH4]+ 208.16959 167.4
[M+K]+ 229.09893 147.6
[M+H-H2O]+ 173.13303 137.2
[M+HCOO]- 235.13397 161.9
[M+CH3COO]- 249.14962 183.2
[M+Na-2H]- 211.11044 146.4
[M]+ 190.13522 141.5
[M]- 190.13632 141.5
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