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
trans-(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]+ 233.189986 156.5
[M+Na]+ 255.171928 161.4
[M-H]- 231.175434 161.3
[M+NH4]+ 250.216533 175.7
[M+K]+ 271.145868 158.1
[M+H-H2O]+ 215.179970 150.4
[M+HCOO]- 277.180911 173.7
[M+CH3COO]- 291.196561 191.2
[M+Na-2H]- 253.157376 158.5
[M]+ 232.18216142 152.0
[M]- 232.18325858 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.