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]+ 188.143376 142.9
[M+Na]+ 210.125318 148.4
[M-H]- 186.128824 146.1
[M+NH4]+ 205.169923 160.3
[M+K]+ 226.099258 144.1
[M+H-H2O]+ 170.133360 135.4
[M+HCOO]- 232.134301 161.9
[M+CH3COO]- 246.149951 154.5
[M+Na-2H]- 208.110766 148.4
[M]+ 187.13555142 137.7
[M]- 187.13664858 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