CID 24837008

96168-19-3

Structural Information

Molecular Formula
C21H41NO3
SMILES
CCCC(CCC)(C(C1CCCCC1)C(=O)OCCN(CC)CC)O
InChI
InChI=1S/C21H41NO3/c1-5-14-21(24,15-6-2)19(18-12-10-9-11-13-18)20(23)25-17-16-22(7-3)8-4/h18-19,24H,5-17H2,1-4H3
InChIKey
QTKAPPCVKOFELQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclohexyl-3-hydroxy-3-propylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.30865 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.315926 195.3
[M+Na]+ 378.297868 193.5
[M-H]- 354.301374 195.8
[M+NH4]+ 373.342473 207.4
[M+K]+ 394.271808 192.3
[M+H-H2O]+ 338.305910 187.8
[M+HCOO]- 400.306851 208.8
[M+CH3COO]- 414.322501 220.8
[M+Na-2H]- 376.283316 191.9
[M]+ 355.30810142 195.8
[M]- 355.30919858 195.8
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.