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
Annotation Hits

0
References

0
Patents

240.10294 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.110216 154.3
[M+Na]+ 263.092158 161.1
[M-H]- 239.095664 157.2
[M+NH4]+ 258.136763 171.4
[M+K]+ 279.066098 156.8
[M+H-H2O]+ 223.100200 145.7
[M+HCOO]- 285.101141 170.0
[M+CH3COO]- 299.116791 188.9
[M+Na-2H]- 261.077606 157.3
[M]+ 240.10239142 155.1
[M]- 240.10348858 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

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No patent data available for this compound.