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
cis-(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]+ 233.189986 156.6
[M+Na]+ 255.171928 161.7
[M-H]- 231.175434 161.2
[M+NH4]+ 250.216533 175.9
[M+K]+ 271.145868 157.9
[M+H-H2O]+ 215.179970 150.2
[M+HCOO]- 277.180911 174.7
[M+CH3COO]- 291.196561 190.3
[M+Na-2H]- 253.157376 159.7
[M]+ 232.18216142 152.7
[M]- 232.18325858 152.7
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.