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]+ 219.14918 150.3
[M+Na]+ 241.13112 154.4
[M-H]- 217.13462 155.9
[M+NH4]+ 236.17572 169.2
[M+K]+ 257.10506 151.3
[M+H-H2O]+ 201.13916 143.0
[M+HCOO]- 263.14010 173.7
[M+CH3COO]- 277.15575 191.3
[M+Na-2H]- 239.11657 152.3
[M]+ 218.14135 144.9
[M]- 218.14245 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.