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]+ 340.28462 188.5
[M+Na]+ 362.26656 185.7
[M-H]- 338.27006 191.6
[M+NH4]+ 357.31116 202.3
[M+K]+ 378.24050 184.7
[M+H-H2O]+ 322.27460 180.6
[M+HCOO]- 384.27554 200.9
[M+CH3COO]- 398.29119 213.9
[M+Na-2H]- 360.25201 185.3
[M]+ 339.27679 182.3
[M]- 339.27789 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.