CID 13178863

87624-03-1

Structural Information

Molecular Formula

C₉H₁₄ClNO

SMILES

C1CCC2C(C1)CC(C(=O)N2)Cl

InChI

InChI=1S/C9H14ClNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h6-8H,1-5H2,(H,11,12)

InChIKey

LWHALVREUDNLSQ-UHFFFAOYSA-N

Compound name

3-chloro-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 187.07639 Da
Monoisotopic Mass: 2.0
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]+	188.083666	139.8
[M+Na]+	210.065608	146.0
[M-H]-	186.069114	140.3
[M+NH4]+	205.110213	159.3
[M+K]+	226.039548	141.4
[M+H-H2O]+	170.073650	134.5
[M+HCOO]-	232.074591	149.9
[M+CH3COO]-	246.090241	177.9
[M+Na-2H]-	208.051056	143.7
[M]+	187.07584142	133.3
[M]-	187.07693858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe