CID 3056661

Brn 2453697

Structural Information

Molecular Formula
C16H24O
SMILES
C[C@@H]1CCCC[C@]1(C2=CC=CC=C2C(C)C)O
InChI
InChI=1S/C16H24O/c1-12(2)14-9-4-5-10-15(14)16(17)11-7-6-8-13(16)3/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3/t13-,16+/m1/s1
InChIKey
QPBHJMJXTKYEFN-CJNGLKHVSA-N
Compound name
(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18999 157.2
[M+Na]+ 255.17193 169.6
[M+NH4]+ 250.21653 167.9
[M+K]+ 271.14587 160.3
[M-H]- 231.17543 161.7
[M+Na-2H]- 253.15738 165.5
[M]+ 232.18216 160.5
[M]- 232.18326 160.5
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.