CID 115831

1',3',3',4'-tetramethyl-1,1'-bi(cyclohexan)-3-en-1-ol

Structural Information

Molecular Formula
C16H28O
SMILES
CC1CCC(CC1(C)C)(C)C2(CCC=CC2)O
InChI
InChI=1S/C16H28O/c1-13-8-11-15(4,12-14(13,2)3)16(17)9-6-5-7-10-16/h5-6,13,17H,7-12H2,1-4H3
InChIKey
OBEFTXLFFJYKLK-UHFFFAOYSA-N
Compound name
1-(1,3,3,4-tetramethylcyclohexyl)cyclohex-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.21402 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.221296 157.2
[M+Na]+ 259.203238 162.4
[M-H]- 235.206744 162.0
[M+NH4]+ 254.247843 180.3
[M+K]+ 275.177178 159.7
[M+H-H2O]+ 219.211280 152.3
[M+HCOO]- 281.212221 172.5
[M+CH3COO]- 295.227871 190.7
[M+Na-2H]- 257.188686 160.8
[M]+ 236.21347142 151.4
[M]- 236.21456858 151.4
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.