CID 24836994

95945-94-1

Structural Information

Molecular Formula
C19H37NO3
SMILES
CCC(CC)(C(C1CCCCC1)C(=O)OCCN(CC)CC)O
InChI
InChI=1S/C19H37NO3/c1-5-19(22,6-2)17(16-12-10-9-11-13-16)18(21)23-15-14-20(7-3)8-4/h16-17,22H,5-15H2,1-4H3
InChIKey
PHTXSWUZQDGDPN-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclohexyl-3-ethyl-3-hydroxypentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.27734 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.28462 184.2
[M+Na]+ 350.26656 189.3
[M+NH4]+ 345.31116 189.4
[M+K]+ 366.24050 185.1
[M-H]- 326.27006 183.7
[M+Na-2H]- 348.25201 184.8
[M]+ 327.27679 184.3
[M]- 327.27789 184.3
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.