CID 82553

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

Structural Information

Molecular Formula
C11H13N
SMILES
C1CNCC=C1C2=CC=CC=C2
InChI
InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6,12H,7-9H2
InChIKey
OMPXTQYWYRWWPH-UHFFFAOYSA-N
Compound name
4-phenyl-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

1405
Patents

159.1048 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 133.8
[M+Na]+ 182.09402 139.3
[M-H]- 158.09752 137.0
[M+NH4]+ 177.13862 152.1
[M+K]+ 198.06796 135.5
[M+H-H2O]+ 142.10206 126.5
[M+HCOO]- 204.10300 153.6
[M+CH3COO]- 218.11865 145.9
[M+Na-2H]- 180.07947 141.2
[M]+ 159.10425 127.6
[M]- 159.10535 127.6
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