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 156.5
[M+Na]+ 255.17193 161.4
[M-H]- 231.17543 161.3
[M+NH4]+ 250.21653 175.7
[M+K]+ 271.14587 158.1
[M+H-H2O]+ 215.17997 150.4
[M+HCOO]- 277.18091 173.7
[M+CH3COO]- 291.19656 191.2
[M+Na-2H]- 253.15738 158.5
[M]+ 232.18216 152.0
[M]- 232.18326 152.0
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.