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]+ 354.30028 192.8
[M+Na]+ 376.28222 188.3
[M-H]- 352.28572 195.4
[M+NH4]+ 371.32682 203.8
[M+K]+ 392.25616 187.2
[M+H-H2O]+ 336.29026 184.0
[M+HCOO]- 398.29120 203.8
[M+CH3COO]- 412.30685 218.2
[M+Na-2H]- 374.26767 186.7
[M]+ 353.29245 185.9
[M]- 353.29355 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.