CID 56850

95008-07-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.30865 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.315926 197.1
[M+Na]+ 378.297868 194.6
[M-H]- 354.301374 197.3
[M+NH4]+ 373.342473 208.9
[M+K]+ 394.271808 193.4
[M+H-H2O]+ 338.305910 188.9
[M+HCOO]- 400.306851 211.1
[M+CH3COO]- 414.322501 221.2
[M+Na-2H]- 376.283316 191.3
[M]+ 355.30810142 197.3
[M]- 355.30919858 197.3
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.