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 183.5
[M+Na]+ 336.25092 182.1
[M-H]- 312.25442 184.4
[M+NH4]+ 331.29552 197.0
[M+K]+ 352.22486 182.2
[M+H-H2O]+ 296.25896 176.1
[M+HCOO]- 358.25990 197.5
[M+CH3COO]- 372.27555 213.3
[M+Na-2H]- 334.23637 178.1
[M]+ 313.26115 182.0
[M]- 313.26225 182.0
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.