CID 10631771

2-chloro-5-[(2s)-1-methylpyrrolidin-2-yl]pyridine

Structural Information

Molecular Formula
C10H13ClN2
SMILES
CN1CCC[C@H]1C2=CN=C(C=C2)Cl
InChI
InChI=1S/C10H13ClN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3/t9-/m0/s1
InChIKey
SVVOLGNZRGLPIU-VIFPVBQESA-N
Compound name
2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

196.07672 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.083996 142.3
[M+Na]+ 219.065938 151.1
[M-H]- 195.069444 145.9
[M+NH4]+ 214.110543 161.6
[M+K]+ 235.039878 146.7
[M+H-H2O]+ 179.073980 134.7
[M+HCOO]- 241.074921 158.4
[M+CH3COO]- 255.090571 155.0
[M+Na-2H]- 217.051386 145.7
[M]+ 196.07617142 141.4
[M]- 196.07726858 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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