CID 165941588

5-bromo-6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C11H14BrNO
SMILES
CC1CCC2=C(N1)C=CC(=C2Br)OC
InChI
InChI=1S/C11H14BrNO/c1-7-3-4-8-9(13-7)5-6-10(14-2)11(8)12/h5-7,13H,3-4H2,1-2H3
InChIKey
JHXDTWLJXVKHAI-UHFFFAOYSA-N
Compound name
5-bromo-6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 149.8
[M+Na]+ 278.01510 160.9
[M-H]- 254.01860 154.3
[M+NH4]+ 273.05970 170.0
[M+K]+ 293.98904 149.2
[M+H-H2O]+ 238.02314 149.8
[M+HCOO]- 300.02408 165.9
[M+CH3COO]- 314.03973 190.9
[M+Na-2H]- 276.00055 156.4
[M]+ 255.02533 166.3
[M]- 255.02643 166.3
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.