CID 21512534

1-benzyl-n-methylpiperidin-3-amine

Structural Information

Molecular Formula
C13H20N2
SMILES
CNC1CCCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H20N2/c1-14-13-8-5-9-15(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3
InChIKey
XYFAEHZVQWTOPH-UHFFFAOYSA-N
Compound name
1-benzyl-N-methylpiperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

204.16264 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 147.8
[M+Na]+ 227.151858 151.8
[M-H]- 203.155364 151.9
[M+NH4]+ 222.196463 164.8
[M+K]+ 243.125798 148.5
[M+H-H2O]+ 187.159900 139.5
[M+HCOO]- 249.160841 167.9
[M+CH3COO]- 263.176491 188.6
[M+Na-2H]- 225.137306 153.1
[M]+ 204.16209142 142.4
[M]- 204.16318858 142.4
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