CID 130820

4-benzyl-1-methyl-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C13H17N
SMILES
CN1CCC(=CC1)CC2=CC=CC=C2
InChI
InChI=1S/C13H17N/c1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-7H,8-11H2,1H3
InChIKey
ARYZGNSJMRABMB-UHFFFAOYSA-N
Compound name
4-benzyl-1-methyl-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7
Patents

187.1361 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.143376 142.3
[M+Na]+ 210.125318 148.3
[M-H]- 186.128824 147.0
[M+NH4]+ 205.169923 160.5
[M+K]+ 226.099258 145.0
[M+H-H2O]+ 170.133360 134.5
[M+HCOO]- 232.134301 162.9
[M+CH3COO]- 246.149951 183.5
[M+Na-2H]- 208.110766 148.4
[M]+ 187.13555142 139.1
[M]- 187.13664858 139.1
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