CID 6510079

Methyl 6-bromo-3,4-dihydro-4-(hydroxyimino)-1(2h)-quinolinecarboxylate

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

7
Patents

297.9953 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.00258 155.0
[M+Na]+ 320.98452 165.6
[M-H]- 296.98802 160.6
[M+NH4]+ 316.02912 173.5
[M+K]+ 336.95846 154.9
[M+H-H2O]+ 280.99256 153.7
[M+HCOO]- 342.99350 173.1
[M+CH3COO]- 357.00915 199.3
[M+Na-2H]- 318.96997 161.4
[M]+ 297.99475 173.0
[M]- 297.99585 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe