CID 379446

Nsc663994

Structural Information

Molecular Formula
C17H32N2O2
SMILES
CCN(CC)CCOC(=O)CCN1CC2CCC(C1)CC2
InChI
InChI=1S/C17H32N2O2/c1-3-18(4-2)11-12-21-17(20)9-10-19-13-15-5-6-16(14-19)8-7-15/h15-16H,3-14H2,1-2H3
InChIKey
FCTCXMHQEXACJY-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-(3-azabicyclo[3.2.2]nonan-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.24637 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.253646 176.6
[M+Na]+ 319.235588 180.8
[M-H]- 295.239094 176.8
[M+NH4]+ 314.280193 193.5
[M+K]+ 335.209528 179.3
[M+H-H2O]+ 279.243630 175.2
[M+HCOO]- 341.244571 186.1
[M+CH3COO]- 355.260221 220.7
[M+Na-2H]- 317.221036 182.2
[M]+ 296.24582142 177.8
[M]- 296.24691858 177.8
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.