CID 2724573

L-menthyl d-lactate

Structural Information

Molecular Formula
C13H24O3
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](C)O)C(C)C
InChI
InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10-,11+,12-/m1/s1
InChIKey
UJNOLBSYLSYIBM-WISYIIOYSA-N
Compound name
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

8
References

19021
Patents

228.17255 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.17983 155.2
[M+Na]+ 251.16177 158.9
[M-H]- 227.16527 156.6
[M+NH4]+ 246.20637 172.7
[M+K]+ 267.13571 158.3
[M+H-H2O]+ 211.16981 149.9
[M+HCOO]- 273.17075 170.5
[M+CH3COO]- 287.18640 191.5
[M+Na-2H]- 249.14722 152.9
[M]+ 228.17200 152.9
[M]- 228.17310 152.9
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.