CID 24838746

95135-80-1

Structural Information

Molecular Formula
C21H39NO3
SMILES
CCN(CC)CCOC(=O)C(C1CCCCC1)C(C2CCCCC2)O
InChI
InChI=1S/C21H39NO3/c1-3-22(4-2)15-16-25-21(24)19(17-11-7-5-8-12-17)20(23)18-13-9-6-10-14-18/h17-20,23H,3-16H2,1-2H3
InChIKey
KPIHMSZMJMEEOW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,3-dicyclohexyl-3-hydroxypropanoate
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 192.8
[M+Na]+ 376.282218 188.3
[M-H]- 352.285724 195.4
[M+NH4]+ 371.326823 203.8
[M+K]+ 392.256158 187.2
[M+H-H2O]+ 336.290260 184.0
[M+HCOO]- 398.291201 203.8
[M+CH3COO]- 412.306851 218.2
[M+Na-2H]- 374.267666 186.7
[M]+ 353.29245142 185.9
[M]- 353.29354858 185.9
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.