CID 59316622

6-bromo-7-methoxy-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C10H10BrNO2
SMILES
COC1=C(C=C2CCC(=O)NC2=C1)Br
InChI
InChI=1S/C10H10BrNO2/c1-14-9-5-8-6(4-7(9)11)2-3-10(13)12-8/h4-5H,2-3H2,1H3,(H,12,13)
InChIKey
XXCLETAREMGZFZ-UHFFFAOYSA-N
Compound name
6-bromo-7-methoxy-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

254.98949 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99677 146.2
[M+Na]+ 277.97871 157.9
[M-H]- 253.98221 150.8
[M+NH4]+ 273.02331 166.3
[M+K]+ 293.95265 146.3
[M+H-H2O]+ 237.98675 146.2
[M+HCOO]- 299.98769 163.0
[M+CH3COO]- 314.00334 189.3
[M+Na-2H]- 275.96416 153.5
[M]+ 254.98894 163.1
[M]- 254.99004 163.1
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