CID 16774375

N-[3-(aminomethyl)phenyl]cyclopentanecarboxamide

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CCC(C1)C(=O)NC2=CC=CC(=C2)CN
InChI
InChI=1S/C13H18N2O/c14-9-10-4-3-7-12(8-10)15-13(16)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9,14H2,(H,15,16)
InChIKey
IJANKGMHOUKLIW-UHFFFAOYSA-N
Compound name
N-[3-(aminomethyl)phenyl]cyclopentanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 150.3
[M+Na]+ 241.131118 154.4
[M-H]- 217.134624 155.9
[M+NH4]+ 236.175723 169.2
[M+K]+ 257.105058 151.3
[M+H-H2O]+ 201.139160 143.0
[M+HCOO]- 263.140101 173.7
[M+CH3COO]- 277.155751 191.3
[M+Na-2H]- 239.116566 152.3
[M]+ 218.14135142 144.9
[M]- 218.14244858 144.9
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.