CID 1132836

4-amino-n-cyclopentylbenzamide

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

C1CCC(C1)NC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H16N2O/c13-10-7-5-9(6-8-10)12(15)14-11-3-1-2-4-11/h5-8,11H,1-4,13H2,(H,14,15)

InChIKey

RYWXWLQEGTXUCU-UHFFFAOYSA-N

Compound name

4-amino-N-cyclopentylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 204.12627 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.13355	145.7
[M+Na]+	227.11549	150.3
[M-H]-	203.11899	151.5
[M+NH4]+	222.16009	165.3
[M+K]+	243.08943	147.4
[M+H-H2O]+	187.12353	138.7
[M+HCOO]-	249.12447	169.5
[M+CH3COO]-	263.14012	188.3
[M+Na-2H]-	225.10094	148.3
[M]+	204.12572	140.0
[M]-	204.12682	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe