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]+ 205.16992 147.8
[M+Na]+ 227.15186 151.8
[M-H]- 203.15536 151.9
[M+NH4]+ 222.19646 164.8
[M+K]+ 243.12580 148.5
[M+H-H2O]+ 187.15990 139.5
[M+HCOO]- 249.16084 167.9
[M+CH3COO]- 263.17649 188.6
[M+Na-2H]- 225.13731 153.1
[M]+ 204.16209 142.4
[M]- 204.16319 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