CID 6510079

81892-43-5

Structural Information

Molecular Formula

C₁₁H₁₁BrN₂O₃

SMILES

COC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Br

InChI

InChI=1S/C11H11BrN2O3/c1-17-11(15)14-5-4-9(13-16)8-6-7(12)2-3-10(8)14/h2-3,6,16H,4-5H2,1H3/b13-9-

InChIKey

MYOLFGKGSLHSOH-LCYFTJDESA-N

Compound name

methyl (4Z)-6-bromo-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 297.9953 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]+	299.002576	155.0
[M+Na]+	320.984518	165.6
[M-H]-	296.988024	160.6
[M+NH4]+	316.029123	173.5
[M+K]+	336.958458	154.9
[M+H-H2O]+	280.992560	153.7
[M+HCOO]-	342.993501	173.1
[M+CH3COO]-	357.009151	199.3
[M+Na-2H]-	318.969966	161.4
[M]+	297.99475142	173.0
[M]-	297.99584858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe