CID 1090706

(1-benzylpiperidin-3-yl)methanamine

Structural Information

Molecular Formula
C13H20N2
SMILES
C1C[C@@H](CN(C1)CC2=CC=CC=C2)CN
InChI
InChI=1S/C13H20N2/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2/t13-/m1/s1
InChIKey
BYNIUBOJBWXZCC-CYBMUJFWSA-N
Compound name
[(3R)-1-benzylpiperidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

204.16264 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 148.3
[M+Na]+ 227.151858 152.4
[M-H]- 203.155364 152.0
[M+NH4]+ 222.196463 165.1
[M+K]+ 243.125798 148.7
[M+H-H2O]+ 187.159900 140.1
[M+HCOO]- 249.160841 167.8
[M+CH3COO]- 263.176491 187.9
[M+Na-2H]- 225.137306 152.6
[M]+ 204.16209142 141.9
[M]- 204.16318858 141.9
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

No patent data available for this compound.