CID 20055232

Menthyl salicylate

Structural Information

Molecular Formula
C17H24O3
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2O)C(C)C
InChI
InChI=1S/C17H24O3/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16,18H,8-10H2,1-3H3/t12-,13+,16-/m1/s1
InChIKey
SJOXEWUZWQYCGL-DVOMOZLQSA-N
Compound name
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

6753
Patents

276.17255 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17983 166.3
[M+Na]+ 299.16177 177.4
[M+NH4]+ 294.20637 173.8
[M+K]+ 315.13571 171.6
[M-H]- 275.16527 169.3
[M+Na-2H]- 297.14722 171.2
[M]+ 276.17200 168.6
[M]- 276.17310 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe