CID 6510072

6-chloro-4-oximino-1-butyryl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C13H15ClN2O2
SMILES
CCCC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Cl
InChI
InChI=1S/C13H15ClN2O2/c1-2-3-13(17)16-7-6-11(15-18)10-8-9(14)4-5-12(10)16/h4-5,8,18H,2-3,6-7H2,1H3/b15-11-
InChIKey
XWPGSXMQSZAQLG-PTNGSMBKSA-N
Compound name
1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.0822 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08948 157.5
[M+Na]+ 289.07142 170.1
[M+NH4]+ 284.11602 165.4
[M+K]+ 305.04536 163.0
[M-H]- 265.07492 159.5
[M+Na-2H]- 287.05687 162.2
[M]+ 266.08165 159.9
[M]- 266.08275 159.9
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