CID 6421573

1-benzyl-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C12H15N
SMILES
C1CN(CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C12H15N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-5,7-8H,6,9-11H2
InChIKey
SIRJFTFGHZXRRZ-UHFFFAOYSA-N
Compound name
1-benzyl-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

248
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 153.9
[M+NH4]+ 191.15427 149.6
[M+K]+ 212.08361 145.1
[M-H]- 172.11317 144.5
[M+Na-2H]- 194.09512 149.6
[M]+ 173.11990 143.1
[M]- 173.12100 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

literature stripe

Patent stripe

patents stripe