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 186.3
[M+Na]+ 350.26656 185.4
[M-H]- 326.27006 187.2
[M+NH4]+ 345.31116 199.5
[M+K]+ 366.24050 184.7
[M+H-H2O]+ 310.27460 179.2
[M+HCOO]- 372.27554 200.5
[M+CH3COO]- 386.29119 214.9
[M+Na-2H]- 348.25201 183.9
[M]+ 327.27679 186.0
[M]- 327.27789 186.0
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.