CID 16787672

1-{[4-(aminomethyl)phenyl]methyl}piperidine-4-carboxamide

Structural Information

Molecular Formula
C14H21N3O
SMILES
C1CN(CCC1C(=O)N)CC2=CC=C(C=C2)CN
InChI
InChI=1S/C14H21N3O/c15-9-11-1-3-12(4-2-11)10-17-7-5-13(6-8-17)14(16)18/h1-4,13H,5-10,15H2,(H2,16,18)
InChIKey
FERFMNWEGJKJEX-UHFFFAOYSA-N
Compound name
1-[[4-(aminomethyl)phenyl]methyl]piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 159.2
[M+Na]+ 270.15768 162.9
[M-H]- 246.16118 162.6
[M+NH4]+ 265.20228 173.6
[M+K]+ 286.13162 159.1
[M+H-H2O]+ 230.16572 150.6
[M+HCOO]- 292.16666 178.2
[M+CH3COO]- 306.18231 198.8
[M+Na-2H]- 268.14313 160.4
[M]+ 247.16791 152.0
[M]- 247.16901 152.0
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.