CID 3020574

3-benzyl-1-methylpiperidine

Structural Information

Molecular Formula
C13H19N
SMILES
CN1CCCC(C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-14-9-5-8-13(11-14)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKey
KTGLLSVNOMWZTG-UHFFFAOYSA-N
Compound name
3-benzyl-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 144.1
[M+Na]+ 212.140968 149.0
[M-H]- 188.144474 148.4
[M+NH4]+ 207.185573 162.1
[M+K]+ 228.114908 145.9
[M+H-H2O]+ 172.149010 136.2
[M+HCOO]- 234.149951 163.2
[M+CH3COO]- 248.165601 183.8
[M+Na-2H]- 210.126416 149.0
[M]+ 189.15120142 139.4
[M]- 189.15229858 139.4
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