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
7
Annotation Hits

5219
References

16381
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.