CID 3056587

Brn 2457953

Structural Information

Molecular Formula
C16H24O
SMILES
CC[C@@H]1CCCC[C@]1(C2=CC=CC=C2CC)O
InChI
InChI=1S/C16H24O/c1-3-13-9-5-6-11-15(13)16(17)12-8-7-10-14(16)4-2/h5-6,9,11,14,17H,3-4,7-8,10,12H2,1-2H3/t14-,16+/m1/s1
InChIKey
FVZRQRRWMOGACG-ZBFHGGJFSA-N
Compound name
(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18999 157.3
[M+Na]+ 255.17193 170.1
[M+NH4]+ 250.21653 168.1
[M+K]+ 271.14587 159.9
[M-H]- 231.17543 162.0
[M+Na-2H]- 253.15738 165.9
[M]+ 232.18216 160.7
[M]- 232.18326 160.7
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.