CID 11009673

L-menthyl butyrate

Structural Information

Molecular Formula
C14H26O2
SMILES
CCCC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C
InChI
InChI=1S/C14H26O2/c1-5-6-14(15)16-13-9-11(4)7-8-12(13)10(2)3/h10-13H,5-9H2,1-4H3/t11-,12+,13-/m1/s1
InChIKey
PHCRRQSBYWJFBQ-FRRDWIJNSA-N
Compound name
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] butanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

166
Patents

226.19328 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.20056 156.2
[M+Na]+ 249.18250 165.6
[M+NH4]+ 244.22710 163.8
[M+K]+ 265.15644 159.9
[M-H]- 225.18600 157.4
[M+Na-2H]- 247.16795 158.8
[M]+ 226.19273 157.6
[M]- 226.19383 157.6
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

patents stripe