CID 421694

1-benzylpiperidin-3-amine

Structural Information

Molecular Formula
C12H18N2
SMILES
C1CC(CN(C1)CC2=CC=CC=C2)N
InChI
InChI=1S/C12H18N2/c13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,13H2
InChIKey
HARWNWOLWMTQCC-UHFFFAOYSA-N
Compound name
1-benzylpiperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

464
Patents

190.147 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.154276 143.8
[M+Na]+ 213.136218 148.3
[M-H]- 189.139724 147.7
[M+NH4]+ 208.180823 161.2
[M+K]+ 229.110158 144.9
[M+H-H2O]+ 173.144260 135.8
[M+HCOO]- 235.145201 163.7
[M+CH3COO]- 249.160851 184.9
[M+Na-2H]- 211.121666 148.7
[M]+ 190.14645142 137.1
[M]- 190.14754858 137.1
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