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]+ 356.31593 195.3
[M+Na]+ 378.29787 193.5
[M-H]- 354.30137 195.8
[M+NH4]+ 373.34247 207.4
[M+K]+ 394.27181 192.3
[M+H-H2O]+ 338.30591 187.8
[M+HCOO]- 400.30685 208.8
[M+CH3COO]- 414.32250 220.8
[M+Na-2H]- 376.28332 191.9
[M]+ 355.30810 195.8
[M]- 355.30920 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.