CID 165384

5979-94-2

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC(=O)N1CCC[C@H]1C2=CN=CC=C2
InChI
InChI=1S/C11H14N2O/c1-9(14)13-7-3-5-11(13)10-4-2-6-12-8-10/h2,4,6,8,11H,3,5,7H2,1H3/t11-/m0/s1
InChIKey
SSABMTSCLQGWBB-NSHDSACASA-N
Compound name
1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

190.11061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 142.4
[M+Na]+ 213.099828 149.2
[M-H]- 189.103334 146.1
[M+NH4]+ 208.144433 160.8
[M+K]+ 229.073768 146.8
[M+H-H2O]+ 173.107870 134.3
[M+HCOO]- 235.108811 162.5
[M+CH3COO]- 249.124461 181.4
[M+Na-2H]- 211.085276 145.5
[M]+ 190.11006142 139.7
[M]- 190.11115858 139.7
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