CID 64081533

6-(bromomethyl)-1-methyl-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C11H12BrNO
SMILES
CN1C(=O)CCC2=C1C=CC(=C2)CBr
InChI
InChI=1S/C11H12BrNO/c1-13-10-4-2-8(7-12)6-9(10)3-5-11(13)14/h2,4,6H,3,5,7H2,1H3
InChIKey
HCHPYSKIFRYLBV-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-1-methyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.01022 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.017496 147.2
[M+Na]+ 275.999438 159.1
[M-H]- 252.002944 153.0
[M+NH4]+ 271.044043 168.2
[M+K]+ 291.973378 147.7
[M+H-H2O]+ 236.007480 147.1
[M+HCOO]- 298.008421 165.0
[M+CH3COO]- 312.024071 192.5
[M+Na-2H]- 273.984886 154.4
[M]+ 253.00967142 164.9
[M]- 253.01076858 164.9
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

No patent data available for this compound.