CID 24836990

94677-00-6

Structural Information

Molecular Formula
C20H37NO3
SMILES
CCN(CC)CCOC(=O)C(C1CCCCC1)C2(CCCCC2)O
InChI
InChI=1S/C20H37NO3/c1-3-21(4-2)15-16-24-19(22)18(17-11-7-5-8-12-17)20(23)13-9-6-10-14-20/h17-18,23H,3-16H2,1-2H3
InChIKey
YNZHMVAEXWLQAV-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclohexyl-2-(1-hydroxycyclohexyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.27734 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.284616 188.5
[M+Na]+ 362.266558 185.7
[M-H]- 338.270064 191.6
[M+NH4]+ 357.311163 202.3
[M+K]+ 378.240498 184.7
[M+H-H2O]+ 322.274600 180.6
[M+HCOO]- 384.275541 200.9
[M+CH3COO]- 398.291191 213.9
[M+Na-2H]- 360.252006 185.3
[M]+ 339.27679142 182.3
[M]- 339.27788858 182.3
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.