CID 80454950

2-chloro-5-(3-(pyrrolidin-1-yl)propoxy)pyridine

Structural Information

Molecular Formula
C12H17ClN2O
SMILES
C1CCN(C1)CCCOC2=CN=C(C=C2)Cl
InChI
InChI=1S/C12H17ClN2O/c13-12-5-4-11(10-14-12)16-9-3-8-15-6-1-2-7-15/h4-5,10H,1-3,6-9H2
InChIKey
KAMUKHGRNLMNRV-UHFFFAOYSA-N
Compound name
2-chloro-5-(3-pyrrolidin-1-ylpropoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

240.10294 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11022 153.7
[M+Na]+ 263.09216 166.5
[M+NH4]+ 258.13676 162.2
[M+K]+ 279.06610 160.2
[M-H]- 239.09566 156.4
[M+Na-2H]- 261.07761 160.7
[M]+ 240.10239 156.4
[M]- 240.10349 156.4
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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No literature data available for this compound.

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No patent data available for this compound.