CID 20114479

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

Structural Information

Molecular Formula
C13H19N3O
SMILES
C1CC(CN(C1)CC2=CC(=CC=C2)N)C(=O)N
InChI
InChI=1S/C13H19N3O/c14-12-5-1-3-10(7-12)8-16-6-2-4-11(9-16)13(15)17/h1,3,5,7,11H,2,4,6,8-9,14H2,(H2,15,17)
InChIKey
TXLDVMBIFUACDM-UHFFFAOYSA-N
Compound name
1-[(3-aminophenyl)methyl]piperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15282 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16010 154.8
[M+Na]+ 256.14204 158.9
[M-H]- 232.14554 158.4
[M+NH4]+ 251.18664 169.8
[M+K]+ 272.11598 155.4
[M+H-H2O]+ 216.15008 146.4
[M+HCOO]- 278.15102 174.1
[M+CH3COO]- 292.16667 195.8
[M+Na-2H]- 254.12749 156.6
[M]+ 233.15227 147.2
[M]- 233.15337 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

No patent data available for this compound.