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
trans-(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]+ 247.205636 160.5
[M+Na]+ 269.187578 165.7
[M-H]- 245.191084 165.4
[M+NH4]+ 264.232183 179.5
[M+K]+ 285.161518 162.3
[M+H-H2O]+ 229.195620 154.7
[M+HCOO]- 291.196561 176.8
[M+CH3COO]- 305.212211 193.1
[M+Na-2H]- 267.173026 164.1
[M]+ 246.19781142 156.5
[M]- 246.19890858 156.5
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.