CID 16782831

1-[(4-aminophenyl)methyl]piperidine-3-carboxamide

Structural Information

Molecular Formula
C13H19N3O
SMILES
C1CC(CN(C1)CC2=CC=C(C=C2)N)C(=O)N
InChI
InChI=1S/C13H19N3O/c14-12-5-3-10(4-6-12)8-16-7-1-2-11(9-16)13(15)17/h3-6,11H,1-2,7-9,14H2,(H2,15,17)
InChIKey
LTKSBKLJMOYVAC-UHFFFAOYSA-N
Compound name
1-[(4-aminophenyl)methyl]piperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.15282 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.160096 154.8
[M+Na]+ 256.142038 158.9
[M-H]- 232.145544 158.4
[M+NH4]+ 251.186643 169.8
[M+K]+ 272.115978 155.4
[M+H-H2O]+ 216.150080 146.4
[M+HCOO]- 278.151021 174.1
[M+CH3COO]- 292.166671 195.8
[M+Na-2H]- 254.127486 156.6
[M]+ 233.15227142 147.2
[M]- 233.15336858 147.2
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