CID 83688028

4-(4-chloro-2-methylphenyl)-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C12H14ClN
SMILES
CC1=C(C=CC(=C1)Cl)C2=CCNCC2
InChI
InChI=1S/C12H14ClN/c1-9-8-11(13)2-3-12(9)10-4-6-14-7-5-10/h2-4,8,14H,5-7H2,1H3
InChIKey
XGLSRMJNPQPWCV-UHFFFAOYSA-N
Compound name
4-(4-chloro-2-methylphenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08148 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08876 144.9
[M+Na]+ 230.07070 160.3
[M+NH4]+ 225.11530 154.9
[M+K]+ 246.04464 151.4
[M-H]- 206.07420 149.5
[M+Na-2H]- 228.05615 154.0
[M]+ 207.08093 148.8
[M]- 207.08203 148.8
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.