CID 22293033

(1-benzoylpiperidin-4-yl)methanamine

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CN(CCC1CN)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H18N2O/c14-10-11-6-8-15(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11H,6-10,14H2
InChIKey
RKXTXWBKNWENJV-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)piperidin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

218.1419 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 151.1
[M+Na]+ 241.131118 155.2
[M-H]- 217.134624 154.9
[M+NH4]+ 236.175723 167.2
[M+K]+ 257.105058 152.0
[M+H-H2O]+ 201.139160 142.9
[M+HCOO]- 263.140101 170.1
[M+CH3COO]- 277.155751 189.4
[M+Na-2H]- 239.116566 154.2
[M]+ 218.14135142 144.8
[M]- 218.14244858 144.8
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