CID 104573

53718-34-6

Structural Information

Molecular Formula
C20H30O
SMILES
CC1(CC2(CCCCC2)C3=CC(=C(C=C31)O)C(C)(C)C)C
InChI
InChI=1S/C20H30O/c1-18(2,3)16-11-15-14(12-17(16)21)19(4,5)13-20(15)9-7-6-8-10-20/h11-12,21H,6-10,13H2,1-5H3
InChIKey
CQDLYCCFORGHSV-UHFFFAOYSA-N
Compound name
6-tert-butyl-3,3-dimethylspiro[2H-indene-1,1'-cyclohexane]-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.22968 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.23696 172.5
[M+Na]+ 309.21890 179.5
[M-H]- 285.22240 177.5
[M+NH4]+ 304.26350 195.5
[M+K]+ 325.19284 174.5
[M+H-H2O]+ 269.22694 167.6
[M+HCOO]- 331.22788 186.7
[M+CH3COO]- 345.24353 201.1
[M+Na-2H]- 307.20435 175.0
[M]+ 286.22913 169.1
[M]- 286.23023 169.1
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