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]+ 354.30028 192.2
[M+Na]+ 376.28222 190.0
[M-H]- 352.28572 195.5
[M+NH4]+ 371.32682 205.8
[M+K]+ 392.25616 188.8
[M+H-H2O]+ 336.29026 184.5
[M+HCOO]- 398.29120 204.2
[M+CH3COO]- 412.30685 218.0
[M+Na-2H]- 374.26767 187.9
[M]+ 353.29245 186.8
[M]- 353.29355 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.