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]+ 270.24275 169.6
[M+Na]+ 292.22469 172.0
[M-H]- 268.22819 173.1
[M+NH4]+ 287.26929 186.6
[M+K]+ 308.19863 171.8
[M+H-H2O]+ 252.23273 162.8
[M+HCOO]- 314.23367 187.6
[M+CH3COO]- 328.24932 208.5
[M+Na-2H]- 290.21014 166.8
[M]+ 269.23492 169.9
[M]- 269.23602 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.