CID 22278835

1-benzyl-3-methylpiperidin-4-amine

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1CN(CCC1N)CC2=CC=CC=C2
InChI
InChI=1S/C13H20N2/c1-11-9-15(8-7-13(11)14)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3
InChIKey
MGTFEKWKCLDVNN-UHFFFAOYSA-N
Compound name
1-benzyl-3-methylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

204.16264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 148.6
[M+Na]+ 227.151858 153.7
[M-H]- 203.155364 152.7
[M+NH4]+ 222.196463 165.7
[M+K]+ 243.125798 150.0
[M+H-H2O]+ 187.159900 140.6
[M+HCOO]- 249.160841 168.1
[M+CH3COO]- 263.176491 189.1
[M+Na-2H]- 225.137306 152.2
[M]+ 204.16209142 142.6
[M]- 204.16318858 142.6
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

patents stripe