CID 4368629

2'-chloro-n-methyl-1,2,5,6-tetrahydro-3,4'-bipyridine hcl

Structural Information

Molecular Formula
C11H13ClN2
SMILES
CN1CCC(=CC1)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C11H13ClN2/c1-14-6-4-9(5-7-14)10-2-3-11(12)13-8-10/h2-4,8H,5-7H2,1H3
InChIKey
GJSUWXYHRHGCPU-UHFFFAOYSA-N
Compound name
2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

208.07672 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08400 144.3
[M+Na]+ 231.06594 152.8
[M-H]- 207.06944 147.7
[M+NH4]+ 226.11054 161.3
[M+K]+ 247.03988 147.9
[M+H-H2O]+ 191.07398 136.3
[M+HCOO]- 253.07492 159.4
[M+CH3COO]- 267.09057 156.5
[M+Na-2H]- 229.05139 150.0
[M]+ 208.07617 143.1
[M]- 208.07727 143.1
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.

Patent stripe

patents stripe