CID 322973

2-methylenequinuclidin-3-one

Structural Information

Molecular Formula
C8H11NO
SMILES
C=C1C(=O)C2CCN1CC2
InChI
InChI=1S/C8H11NO/c1-6-8(10)7-2-4-9(6)5-3-7/h7H,1-5H2
InChIKey
NHPWIWAGVOXDPU-UHFFFAOYSA-N
Compound name
2-methylidene-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

305
Patents

137.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 124.9
[M+Na]+ 160.07328 135.9
[M+NH4]+ 155.11788 135.7
[M+K]+ 176.04722 128.9
[M-H]- 136.07678 122.8
[M+Na-2H]- 158.05873 123.6
[M]+ 137.08351 125.7
[M]- 137.08461 125.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe