CID 24836992

95135-79-8

Structural Information

Molecular Formula
C21H39NO3
SMILES
CCN(CC)CCOC(=O)C(C1CCCCC1)C2(CCC(CC2)C)O
InChI
InChI=1S/C21H39NO3/c1-4-22(5-2)15-16-25-20(23)19(18-9-7-6-8-10-18)21(24)13-11-17(3)12-14-21/h17-19,24H,4-16H2,1-3H3
InChIKey
DSYVZGKEZRXMJC-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclohexyl-2-(1-hydroxy-4-methylcyclohexyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.293 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.300276 192.2
[M+Na]+ 376.282218 190.0
[M-H]- 352.285724 195.5
[M+NH4]+ 371.326823 205.8
[M+K]+ 392.256158 188.8
[M+H-H2O]+ 336.290260 184.5
[M+HCOO]- 398.291201 204.2
[M+CH3COO]- 412.306851 218.0
[M+Na-2H]- 374.267666 187.9
[M]+ 353.29245142 186.8
[M]- 353.29354858 186.8
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.