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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.01750 156.3
[M+Na]+ 299.99944 169.9
[M-H]- 276.00294 162.4
[M+NH4]+ 295.04404 178.6
[M+K]+ 315.97338 157.0
[M+H-H2O]+ 260.00748 156.8
[M+HCOO]- 322.00842 173.9
[M+CH3COO]- 336.02407 170.8
[M+Na-2H]- 297.98489 162.1
[M]+ 277.00967 174.1
[M]- 277.01077 174.1
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

No patent data available for this compound.