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]+ 297.25365 176.6
[M+Na]+ 319.23559 180.8
[M-H]- 295.23909 176.8
[M+NH4]+ 314.28019 193.5
[M+K]+ 335.20953 179.3
[M+H-H2O]+ 279.24363 175.2
[M+HCOO]- 341.24457 186.1
[M+CH3COO]- 355.26022 220.7
[M+Na-2H]- 317.22104 182.2
[M]+ 296.24582 177.8
[M]- 296.24692 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.