CID 3056593

Brn 2454703

Structural Information

Molecular Formula
C17H26O
SMILES
C[C@@H]1CCCC[C@]1(C2=CC=CC=C2C(C)(C)C)O
InChI
InChI=1S/C17H26O/c1-13-9-7-8-12-17(13,18)15-11-6-5-10-14(15)16(2,3)4/h5-6,10-11,13,18H,7-9,12H2,1-4H3/t13-,17+/m1/s1
InChIKey
WDAQGWQRJNKBQF-DYVFJYSZSA-N
Compound name
(1S,2R)-1-(2-tert-butylphenyl)-2-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.19836 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 161.2
[M+Na]+ 269.18758 173.4
[M+NH4]+ 264.23218 171.6
[M+K]+ 285.16152 164.4
[M-H]- 245.19108 165.2
[M+Na-2H]- 267.17303 169.6
[M]+ 246.19781 164.4
[M]- 246.19891 164.4
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.