CID 6510078

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

Structural Information

Molecular Formula
C11H11ClN2O3
SMILES
COC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Cl
InChI
InChI=1S/C11H11ClN2O3/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
CAVHKCYPWPSULT-LCYFTJDESA-N
Compound name
methyl (4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

254.04582 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05310 151.7
[M+Na]+ 277.03504 160.7
[M-H]- 253.03854 155.0
[M+NH4]+ 272.07964 169.5
[M+K]+ 293.00898 157.0
[M+H-H2O]+ 237.04308 145.7
[M+HCOO]- 299.04402 167.9
[M+CH3COO]- 313.05967 193.7
[M+Na-2H]- 275.02049 157.0
[M]+ 254.04527 153.4
[M]- 254.04637 153.4
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