CID 18620064

199186-78-2

Structural Information

Molecular Formula
C11H14BrN
SMILES
CC1(CCC2=C(N1)C=CC(=C2)Br)C
InChI
InChI=1S/C11H14BrN/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7,13H,5-6H2,1-2H3
InChIKey
TVQLUTMFPJMIOS-UHFFFAOYSA-N
Compound name
6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

239.03096 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03824 146.4
[M+Na]+ 262.02018 150.4
[M+NH4]+ 257.06478 153.6
[M+K]+ 277.99412 147.5
[M-H]- 238.02368 147.6
[M+Na-2H]- 260.00563 150.8
[M]+ 239.03041 146.4
[M]- 239.03151 146.4
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