CID 3056588

Brn 2454702

Structural Information

Molecular Formula
C17H26O
SMILES
CC[C@@H]1CCCC[C@]1(C2=CC=CC=C2C(C)C)O
InChI
InChI=1S/C17H26O/c1-4-14-9-7-8-12-17(14,18)16-11-6-5-10-15(16)13(2)3/h5-6,10-11,13-14,18H,4,7-9,12H2,1-3H3/t14-,17+/m1/s1
InChIKey
WHUFBEHCKUVMNM-PBHICJAKSA-N
Compound name
(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.19836 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 161.1
[M+Na]+ 269.18758 165.5
[M-H]- 245.19108 165.6
[M+NH4]+ 264.23218 179.7
[M+K]+ 285.16152 162.0
[M+H-H2O]+ 229.19562 154.7
[M+HCOO]- 291.19656 177.9
[M+CH3COO]- 305.21221 194.2
[M+Na-2H]- 267.17303 162.5
[M]+ 246.19781 156.9
[M]- 246.19891 156.9
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.