CID 24837002

94908-02-8

Structural Information

Molecular Formula
C17H33NO3
SMILES
CCN(CC)CCOC(=O)C(C1CCCCC1)C(C)(C)O
InChI
InChI=1S/C17H33NO3/c1-5-18(6-2)12-13-21-16(19)15(17(3,4)20)14-10-8-7-9-11-14/h14-15,20H,5-13H2,1-4H3
InChIKey
SIKCBSCXRMNWIK-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclohexyl-3-hydroxy-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.24603 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.25331 177.2
[M+Na]+ 322.23525 177.2
[M-H]- 298.23875 178.5
[M+NH4]+ 317.27985 191.6
[M+K]+ 338.20919 176.9
[M+H-H2O]+ 282.24329 170.5
[M+HCOO]- 344.24423 192.1
[M+CH3COO]- 358.25988 208.9
[M+Na-2H]- 320.22070 175.9
[M]+ 299.24548 176.2
[M]- 299.24658 176.2
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.