CID 104572

53718-33-5

Structural Information

Molecular Formula
C16H22O
SMILES
CC1(CC2(CCCCC2)C3=C1C=C(C=C3)O)C
InChI
InChI=1S/C16H22O/c1-15(2)11-16(8-4-3-5-9-16)13-7-6-12(17)10-14(13)15/h6-7,10,17H,3-5,8-9,11H2,1-2H3
InChIKey
FVHTZOXYTGZSNE-UHFFFAOYSA-N
Compound name
3,3-dimethylspiro[2H-indene-1,1'-cyclohexane]-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

230.16707 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17435 155.7
[M+Na]+ 253.15629 163.1
[M-H]- 229.15979 160.8
[M+NH4]+ 248.20089 180.4
[M+K]+ 269.13023 158.2
[M+H-H2O]+ 213.16433 150.2
[M+HCOO]- 275.16527 172.9
[M+CH3COO]- 289.18092 167.7
[M+Na-2H]- 251.14174 159.7
[M]+ 230.16652 151.0
[M]- 230.16762 151.0
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