CID 3085968

(chloropropylphenyl)pyridine

Structural Information

Molecular Formula
C14H14ClN
SMILES
C[C@@H](CC1=CC=CC=C1C2=CC=NC=C2)Cl
InChI
InChI=1S/C14H14ClN/c1-11(15)10-13-4-2-3-5-14(13)12-6-8-16-9-7-12/h2-9,11H,10H2,1H3/t11-/m0/s1
InChIKey
JJTJVLGXANAXBB-NSHDSACASA-N
Compound name
4-[2-[(2S)-2-chloropropyl]phenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08148 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.088756 150.1
[M+Na]+ 254.070698 158.2
[M-H]- 230.074204 155.0
[M+NH4]+ 249.115303 167.4
[M+K]+ 270.044638 152.7
[M+H-H2O]+ 214.078740 142.7
[M+HCOO]- 276.079681 167.5
[M+CH3COO]- 290.095331 162.5
[M+Na-2H]- 252.056146 155.9
[M]+ 231.08093142 151.6
[M]- 231.08202858 151.6
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

No patent data available for this compound.