CID 28374468

4-(4-ethylphenyl)-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C13H17N
SMILES
CCC1=CC=C(C=C1)C2=CCNCC2
InChI
InChI=1S/C13H17N/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h3-7,14H,2,8-10H2,1H3
InChIKey
ZQNRDVQYZGESMB-UHFFFAOYSA-N
Compound name
4-(4-ethylphenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

187.1361 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 142.9
[M+Na]+ 210.12532 148.4
[M-H]- 186.12882 146.1
[M+NH4]+ 205.16992 160.3
[M+K]+ 226.09926 144.1
[M+H-H2O]+ 170.13336 135.4
[M+HCOO]- 232.13430 161.9
[M+CH3COO]- 246.14995 154.5
[M+Na-2H]- 208.11077 148.4
[M]+ 187.13555 137.7
[M]- 187.13665 137.7
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

patents stripe