CID 10583942

4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C11H12ClN
SMILES
C1CNCC=C1C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H12ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-4,8,13H,5-7H2
InChIKey
GUMKLSMBRGGWAH-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

193.06583 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07311 140.7
[M+Na]+ 216.05505 155.9
[M+NH4]+ 211.09965 150.9
[M+K]+ 232.02899 147.1
[M-H]- 192.05855 145.3
[M+Na-2H]- 214.04050 150.3
[M]+ 193.06528 144.6
[M]- 193.06638 144.6
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

patents stripe