CID 206743

28657-02-5

Structural Information

Molecular Formula
C14H27NO2
SMILES
CCN(CC)CCOC(=O)[C@@H]1CCC[C@@H](C1)C
InChI
InChI=1S/C14H27NO2/c1-4-15(5-2)9-10-17-14(16)13-8-6-7-12(3)11-13/h12-13H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKey
AKCIKTVHXHWIMO-QWHCGFSZSA-N
Compound name
2-(diethylamino)ethyl (1R,3S)-3-methylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.20418 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.21146 161.3
[M+Na]+ 264.19340 163.7
[M-H]- 240.19690 164.6
[M+NH4]+ 259.23800 179.1
[M+K]+ 280.16734 163.5
[M+H-H2O]+ 224.20144 154.3
[M+HCOO]- 286.20238 181.0
[M+CH3COO]- 300.21803 200.4
[M+Na-2H]- 262.17885 161.4
[M]+ 241.20363 161.0
[M]- 241.20473 161.0
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.