CID 3016528

N-benzylpiperidin-4-amine dihydrochloride

Structural Information

Molecular Formula
C12H18N2
SMILES
C1CNCCC1NCC2=CC=CC=C2
InChI
InChI=1S/C12H18N2/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-5,12-14H,6-10H2
InChIKey
HUJYJEPNVYXEND-UHFFFAOYSA-N
Compound name
N-benzylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

345
Patents

190.147 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 143.2
[M+Na]+ 213.13622 146.3
[M-H]- 189.13972 145.7
[M+NH4]+ 208.18082 159.7
[M+K]+ 229.11016 142.3
[M+H-H2O]+ 173.14426 135.2
[M+HCOO]- 235.14520 162.2
[M+CH3COO]- 249.16085 181.9
[M+Na-2H]- 211.12167 149.4
[M]+ 190.14645 135.2
[M]- 190.14755 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe