CID 145704

Hexamide

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H17NO/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-14/h3-5,8-9H,1-2,6-7,10-11H2

InChIKey

KZLCCMBSJDXNDG-UHFFFAOYSA-N

Compound name

azepan-1-yl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2245
Patents: 203.13101 Da
Monoisotopic Mass: 2.4
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]+	204.13829	146.8
[M+Na]+	226.12023	157.0
[M+NH4]+	221.16483	154.7
[M+K]+	242.09417	151.6
[M-H]-	202.12373	150.0
[M+Na-2H]-	224.10568	154.3
[M]+	203.13046	149.1
[M]-	203.13156	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe