CID 83688028

4-(4-chloro-2-methylphenyl)-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C12H14ClN
SMILES
CC1=C(C=CC(=C1)Cl)C2=CCNCC2
InChI
InChI=1S/C12H14ClN/c1-9-8-11(13)2-3-12(9)10-4-6-14-7-5-10/h2-4,8,14H,5-7H2,1H3
InChIKey
XGLSRMJNPQPWCV-UHFFFAOYSA-N
Compound name
4-(4-chloro-2-methylphenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08148 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08876 144.6
[M+Na]+ 230.07070 152.3
[M-H]- 206.07420 148.1
[M+NH4]+ 225.11530 162.4
[M+K]+ 246.04464 146.4
[M+H-H2O]+ 190.07874 138.0
[M+HCOO]- 252.07968 159.4
[M+CH3COO]- 266.09533 156.6
[M+Na-2H]- 228.05615 149.4
[M]+ 207.08093 141.6
[M]- 207.08203 141.6
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.