CID 61381804

7-bromo-5-methyl-1h,2h,3h,4h,9h-cyclopenta[b]quinolin-9-one

Structural Information

Molecular Formula

C₁₃H₁₂BrNO

SMILES

CC1=CC(=CC2=C1NC3=C(C2=O)CCC3)Br

InChI

InChI=1S/C13H12BrNO/c1-7-5-8(14)6-10-12(7)15-11-4-2-3-9(11)13(10)16/h5-6H,2-4H2,1H3,(H,15,16)

InChIKey

KVXUYXLAXIFAJR-UHFFFAOYSA-N

Compound name

7-bromo-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.01022 Da
Monoisotopic Mass: 3.3
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]+	278.017496	156.3
[M+Na]+	299.999438	169.9
[M-H]-	276.002944	162.4
[M+NH4]+	295.044043	178.6
[M+K]+	315.973378	157.0
[M+H-H2O]+	260.007480	156.8
[M+HCOO]-	322.008421	173.9
[M+CH3COO]-	336.024071	170.8
[M+Na-2H]-	297.984886	162.1
[M]+	277.00967142	174.1
[M]-	277.01076858	174.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.