CID 24837010

94908-03-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.24603 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.25331 179.1
[M+Na]+ 322.23525 178.3
[M-H]- 298.23875 180.1
[M+NH4]+ 317.27985 193.2
[M+K]+ 338.20919 178.1
[M+H-H2O]+ 282.24329 171.6
[M+HCOO]- 344.24423 194.4
[M+CH3COO]- 358.25988 209.4
[M+Na-2H]- 320.22070 175.4
[M]+ 299.24548 177.8
[M]- 299.24658 177.8
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.