CID 288759

2-(4-morpholinylmethyl)quinuclidin-3-one

Structural Information

Molecular Formula
C12H20N2O2
SMILES
C1CN2CCC1C(=O)C2CN3CCOCC3
InChI
InChI=1S/C12H20N2O2/c15-12-10-1-3-14(4-2-10)11(12)9-13-5-7-16-8-6-13/h10-11H,1-9H2
InChIKey
IICSZVOVTPCORP-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

224.15248 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 147.1
[M+Na]+ 247.14170 149.3
[M-H]- 223.14520 143.6
[M+NH4]+ 242.18630 165.2
[M+K]+ 263.11564 148.0
[M+H-H2O]+ 207.14974 139.0
[M+HCOO]- 269.15068 152.4
[M+CH3COO]- 283.16633 155.5
[M+Na-2H]- 245.12715 156.1
[M]+ 224.15193 144.5
[M]- 224.15303 144.5
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

patents stripe