CID 3067775

Menthol (-)-n,n-diethylaminoacetate

Structural Information

Molecular Formula
C16H31NO2
SMILES
CCN(CC)CC(=O)O[C@@H]1C[C@H](CC[C@@H]1C(C)C)C
InChI
InChI=1S/C16H31NO2/c1-6-17(7-2)11-16(18)19-15-10-13(5)8-9-14(15)12(3)4/h12-15H,6-11H2,1-5H3/t13-,14+,15+/m0/s1
InChIKey
WUGGCLRXBOVBMZ-RRFJBIMHSA-N
Compound name
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(diethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.23547 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.242746 169.6
[M+Na]+ 292.224688 172.0
[M-H]- 268.228194 173.1
[M+NH4]+ 287.269293 186.6
[M+K]+ 308.198628 171.8
[M+H-H2O]+ 252.232730 162.8
[M+HCOO]- 314.233671 187.6
[M+CH3COO]- 328.249321 208.5
[M+Na-2H]- 290.210136 166.8
[M]+ 269.23492142 169.9
[M]- 269.23601858 169.9
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.