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
7
Annotation Hits

4
References

5362
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 165.9
[M+Na]+ 299.16177 170.2
[M-H]- 275.16527 170.5
[M+NH4]+ 294.20637 181.3
[M+K]+ 315.13571 167.6
[M+H-H2O]+ 259.16981 158.9
[M+HCOO]- 321.17075 182.3
[M+CH3COO]- 335.18640 199.5
[M+Na-2H]- 297.14722 164.5
[M]+ 276.17200 163.4
[M]- 276.17310 163.4
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