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]+ 231.174346 155.7
[M+Na]+ 253.156288 163.1
[M-H]- 229.159794 160.8
[M+NH4]+ 248.200893 180.4
[M+K]+ 269.130228 158.2
[M+H-H2O]+ 213.164330 150.2
[M+HCOO]- 275.165271 172.9
[M+CH3COO]- 289.180921 167.7
[M+Na-2H]- 251.141736 159.7
[M]+ 230.16652142 151.0
[M]- 230.16761858 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