CID 118798984

2-(diethylamino)ethyl 2-cyclohexyl-4-methylpentanoate

Structural Information

Molecular Formula
C18H35NO2
SMILES
CCN(CC)CCOC(=O)C(CC(C)C)C1CCCCC1
InChI
InChI=1S/C18H35NO2/c1-5-19(6-2)12-13-21-18(20)17(14-15(3)4)16-10-8-7-9-11-16/h15-17H,5-14H2,1-4H3
InChIKey
HQUOZLPUKBVNPL-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclohexyl-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.26678 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.27406 180.6
[M+Na]+ 320.25600 179.9
[M-H]- 296.25950 182.9
[M+NH4]+ 315.30060 195.6
[M+K]+ 336.22994 179.7
[M+H-H2O]+ 280.26404 172.9
[M+HCOO]- 342.26498 196.9
[M+CH3COO]- 356.28063 212.9
[M+Na-2H]- 318.24145 176.7
[M]+ 297.26623 180.2
[M]- 297.26733 180.2
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.