CID 53434523

4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C13H17N
SMILES
CC1=CC(=CC(=C1)C2=CCNCC2)C
InChI
InChI=1S/C13H17N/c1-10-7-11(2)9-13(8-10)12-3-5-14-6-4-12/h3,7-9,14H,4-6H2,1-2H3
InChIKey
HQZKLAOFUNIYLZ-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

187.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 143.7
[M+Na]+ 210.12532 158.1
[M+NH4]+ 205.16992 153.3
[M+K]+ 226.09926 149.8
[M-H]- 186.12882 148.3
[M+Na-2H]- 208.11077 152.5
[M]+ 187.13555 147.1
[M]- 187.13665 147.1
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

patents stripe