CID 10823932

135631-91-3

Structural Information

Molecular Formula
C11H14BrN
SMILES
CC1(CCNC2=C1C=C(C=C2)Br)C
InChI
InChI=1S/C11H14BrN/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7,13H,5-6H2,1-2H3
InChIKey
WBOOAXJWGJAIMB-UHFFFAOYSA-N
Compound name
6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

239.03096 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.038236 145.8
[M+Na]+ 262.020178 157.1
[M-H]- 238.023684 150.4
[M+NH4]+ 257.064783 168.4
[M+K]+ 277.994118 145.2
[M+H-H2O]+ 222.028220 146.5
[M+HCOO]- 284.029161 161.8
[M+CH3COO]- 298.044811 159.9
[M+Na-2H]- 260.005626 154.2
[M]+ 239.03041142 161.1
[M]- 239.03150858 161.1
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