CID 6484331

3-(1-piperidinylmethyl)aniline

Structural Information

Molecular Formula
C12H18N2
SMILES
C1CCN(CC1)CC2=CC(=CC=C2)N
InChI
InChI=1S/C12H18N2/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2
InChIKey
SEJNYLBEEMVJNN-UHFFFAOYSA-N
Compound name
3-(piperidin-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

139
Patents

190.147 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 143.8
[M+Na]+ 213.13622 148.3
[M-H]- 189.13972 147.7
[M+NH4]+ 208.18082 161.2
[M+K]+ 229.11016 144.9
[M+H-H2O]+ 173.14426 135.8
[M+HCOO]- 235.14520 163.7
[M+CH3COO]- 249.16085 184.9
[M+Na-2H]- 211.12167 148.7
[M]+ 190.14645 137.1
[M]- 190.14755 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

literature stripe

Patent stripe

patents stripe