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]+ 314.268976 183.5
[M+Na]+ 336.250918 182.1
[M-H]- 312.254424 184.4
[M+NH4]+ 331.295523 197.0
[M+K]+ 352.224858 182.2
[M+H-H2O]+ 296.258960 176.1
[M+HCOO]- 358.259901 197.5
[M+CH3COO]- 372.275551 213.3
[M+Na-2H]- 334.236366 178.1
[M]+ 313.26115142 182.0
[M]- 313.26224858 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.