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
cis-(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]+ 247.205636 161.1
[M+Na]+ 269.187578 165.5
[M-H]- 245.191084 165.6
[M+NH4]+ 264.232183 179.7
[M+K]+ 285.161518 162.0
[M+H-H2O]+ 229.195620 154.7
[M+HCOO]- 291.196561 177.9
[M+CH3COO]- 305.212211 194.2
[M+Na-2H]- 267.173026 162.5
[M]+ 246.19781142 156.9
[M]- 246.19890858 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.