CID 93593

1,1,3,3,4,6-hexamethylindan-5-ol

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=CC2=C(C(=C1O)C)C(CC2(C)C)(C)C
InChI
InChI=1S/C15H22O/c1-9-7-11-12(10(2)13(9)16)15(5,6)8-14(11,3)4/h7,16H,8H2,1-6H3
InChIKey
JNNVYXVBGLWKKN-UHFFFAOYSA-N
Compound name
1,1,3,3,4,6-hexamethyl-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 146.5
[M+Na]+ 241.156288 158.0
[M-H]- 217.159794 151.2
[M+NH4]+ 236.200893 172.8
[M+K]+ 257.130228 154.1
[M+H-H2O]+ 201.164330 143.6
[M+HCOO]- 263.165271 167.0
[M+CH3COO]- 277.180921 191.7
[M+Na-2H]- 239.141736 150.3
[M]+ 218.16652142 148.9
[M]- 218.16761858 148.9
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

No patent data available for this compound.