CID 10729464

6-bromo-2,2,4-trimethyl-1,2-dihydroquinoline

Structural Information

Molecular Formula
C12H14BrN
SMILES
CC1=CC(NC2=C1C=C(C=C2)Br)(C)C
InChI
InChI=1S/C12H14BrN/c1-8-7-12(2,3)14-11-5-4-9(13)6-10(8)11/h4-7,14H,1-3H3
InChIKey
GQPOSFWEURXXNF-UHFFFAOYSA-N
Compound name
6-bromo-2,2,4-trimethyl-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

251.03096 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03824 147.6
[M+Na]+ 274.02018 160.4
[M-H]- 250.02368 152.8
[M+NH4]+ 269.06478 170.2
[M+K]+ 289.99412 148.0
[M+H-H2O]+ 234.02822 148.4
[M+HCOO]- 296.02916 164.7
[M+CH3COO]- 310.04481 162.2
[M+Na-2H]- 272.00563 155.9
[M]+ 251.03041 165.0
[M]- 251.03151 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe