CID 1388

1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C12H15N
SMILES
CN1CCC(=CC1)C2=CC=CC=C2
InChI
InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChIKey
PLRACCBDVIHHLZ-UHFFFAOYSA-N
Compound name
1-methyl-4-phenyl-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5215
References

16463
Patents

173.12045 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 137.7
[M+Na]+ 196.10967 144.1
[M-H]- 172.11317 142.6
[M+NH4]+ 191.15427 156.5
[M+K]+ 212.08361 141.0
[M+H-H2O]+ 156.11771 130.1
[M+HCOO]- 218.11865 158.6
[M+CH3COO]- 232.13430 150.5
[M+Na-2H]- 194.09512 144.3
[M]+ 173.11990 134.1
[M]- 173.12100 134.1
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