CID 24837006

95220-07-8

Structural Information

Molecular Formula
C18H35NO3
SMILES
CCN(CC)CCOC(=O)C(C1CCCCC1)C(C(C)C)O
InChI
InChI=1S/C18H35NO3/c1-5-19(6-2)12-13-22-18(21)16(17(20)14(3)4)15-10-8-7-9-11-15/h14-17,20H,5-13H2,1-4H3
InChIKey
BKTKYKXOFMKAQM-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclohexyl-3-hydroxy-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2617 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.26898 180.6
[M+Na]+ 336.25092 185.5
[M+NH4]+ 331.29552 185.9
[M+K]+ 352.22486 181.9
[M-H]- 312.25442 180.4
[M+Na-2H]- 334.23637 180.7
[M]+ 313.26115 180.6
[M]- 313.26225 180.6
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.