CID 206747

Nsc 75136

Structural Information

Molecular Formula
C14H27NO2
SMILES
CCN(CC)CCOC(=O)[C@@H]1CCCC[C@H]1C
InChI
InChI=1S/C14H27NO2/c1-4-15(5-2)10-11-17-14(16)13-9-7-6-8-12(13)3/h12-13H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKey
RAVRAIBLAGRGTB-CHWSQXEVSA-N
Compound name
2-(diethylamino)ethyl (1R,2R)-2-methylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.20418 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.21146 160.5
[M+Na]+ 264.19340 168.7
[M+NH4]+ 259.23800 167.9
[M+K]+ 280.16734 162.9
[M-H]- 240.19690 162.3
[M+Na-2H]- 262.17885 163.5
[M]+ 241.20363 161.8
[M]- 241.20473 161.8
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.