CID 140893

3-methylenequinuclidine

Structural Information

Molecular Formula
C8H13N
SMILES
C=C1CN2CCC1CC2
InChI
InChI=1S/C8H13N/c1-7-6-9-4-2-8(7)3-5-9/h8H,1-6H2
InChIKey
LWKDQGSBGMZMNO-UHFFFAOYSA-N
Compound name
3-methylidene-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

123.1048 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.112076 124.8
[M+Na]+ 146.094018 129.7
[M-H]- 122.097524 120.4
[M+NH4]+ 141.138623 150.3
[M+K]+ 162.067958 127.6
[M+H-H2O]+ 106.102060 120.1
[M+HCOO]- 168.103001 136.4
[M+CH3COO]- 182.118651 136.2
[M+Na-2H]- 144.079466 136.6
[M]+ 123.10425142 123.4
[M]- 123.10534858 123.4
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