CID 121553579

1909336-33-9

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1CC2=C(CCC1=O)N=CC=C2

InChI

InChI=1S/C10H11NO/c12-9-4-3-8-2-1-7-11-10(8)6-5-9/h1-2,7H,3-6H2

InChIKey

UCEOTVXDIIMOJK-UHFFFAOYSA-N

Compound name

5,6,8,9-tetrahydrocyclohepta[b]pyridin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.08406 Da
Monoisotopic Mass: 0.9
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]+	162.09134	130.8
[M+Na]+	184.07328	142.2
[M+NH4]+	179.11788	139.4
[M+K]+	200.04722	136.8
[M-H]-	160.07678	133.0
[M+Na-2H]-	182.05873	137.7
[M]+	161.08351	133.1
[M]-	161.08461	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.