CID 6505363

M 12285

Structural Information

Molecular Formula

C₁₂H₁₃ClN₂O₂

SMILES

CCC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Cl

InChI

InChI=1S/C12H13ClN2O2/c1-2-12(16)15-6-5-10(14-17)9-7-8(13)3-4-11(9)15/h3-4,7,17H,2,5-6H2,1H3/b14-10-

InChIKey

ABELRHWKDXLRAR-UVTDQMKNSA-N

Compound name

1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 252.06656 Da
Monoisotopic Mass: 2.1
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]+	253.073836	153.7
[M+Na]+	275.055778	162.3
[M-H]-	251.059284	156.7
[M+NH4]+	270.100383	171.5
[M+K]+	291.029718	157.7
[M+H-H2O]+	235.063820	147.5
[M+HCOO]-	297.064761	169.2
[M+CH3COO]-	311.080411	195.2
[M+Na-2H]-	273.041226	158.2
[M]+	252.06601142	154.3
[M]-	252.06710858	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe