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 160.5
[M+Na]+ 269.18758 165.7
[M-H]- 245.19108 165.4
[M+NH4]+ 264.23218 179.5
[M+K]+ 285.16152 162.3
[M+H-H2O]+ 229.19562 154.7
[M+HCOO]- 291.19656 176.8
[M+CH3COO]- 305.21221 193.1
[M+Na-2H]- 267.17303 164.1
[M]+ 246.19781 156.5
[M]- 246.19891 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.