CID 10542064

129722-34-5

Structural Information

Molecular Formula
C13H16BrNO2
SMILES
C1CC(=O)NC2=C1C=CC(=C2)OCCCCBr
InChI
InChI=1S/C13H16BrNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3,5,9H,1-2,4,6-8H2,(H,15,16)
InChIKey
URHLNHVYMNBPEO-UHFFFAOYSA-N
Compound name
7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

413
Patents

297.03644 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.04372 160.2
[M+Na]+ 320.02566 169.6
[M-H]- 296.02916 163.8
[M+NH4]+ 315.07026 178.2
[M+K]+ 335.99960 157.4
[M+H-H2O]+ 280.03370 159.3
[M+HCOO]- 342.03464 175.9
[M+CH3COO]- 356.05029 196.6
[M+Na-2H]- 318.01111 166.4
[M]+ 297.03589 177.6
[M]- 297.03699 177.6
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.