CID 212861

25203-79-6

Structural Information

Molecular Formula
C18H28O
SMILES
CC[C@@H]1CCCC[C@]1(C2=CC=CC=C2C(C)(C)C)O
InChI
InChI=1S/C18H28O/c1-5-14-10-8-9-13-18(14,19)16-12-7-6-11-15(16)17(2,3)4/h6-7,11-12,14,19H,5,8-10,13H2,1-4H3/t14-,18+/m1/s1
InChIKey
GKNQKIGZGSRIJK-KDOFPFPSSA-N
Compound name
(1S,2R)-1-(2-tert-butylphenyl)-2-ethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.21402 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.22130 165.0
[M+Na]+ 283.20324 169.8
[M-H]- 259.20674 169.7
[M+NH4]+ 278.24784 183.4
[M+K]+ 299.17718 166.1
[M+H-H2O]+ 243.21128 159.1
[M+HCOO]- 305.21222 181.0
[M+CH3COO]- 319.22787 196.1
[M+Na-2H]- 281.18869 168.0
[M]+ 260.21347 161.4
[M]- 260.21457 161.4
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.