CID 416125

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

Structural Information

Molecular Formula
C12H15N
SMILES
CC1=CC=C(C=C1)C2=CCNCC2
InChI
InChI=1S/C12H15N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-6,13H,7-9H2,1H3
InChIKey
LHRYYSNFHJCZDT-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

62
Patents

173.12045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 139.5
[M+Na]+ 196.10967 153.8
[M+NH4]+ 191.15427 149.3
[M+K]+ 212.08361 145.5
[M-H]- 172.11317 144.1
[M+Na-2H]- 194.09512 148.8
[M]+ 173.11990 142.9
[M]- 173.12100 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe