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]+ 256.033156 149.8
[M+Na]+ 278.015098 160.9
[M-H]- 254.018604 154.3
[M+NH4]+ 273.059703 170.0
[M+K]+ 293.989038 149.2
[M+H-H2O]+ 238.023140 149.8
[M+HCOO]- 300.024081 165.9
[M+CH3COO]- 314.039731 190.9
[M+Na-2H]- 276.000546 156.4
[M]+ 255.02533142 166.3
[M]- 255.02642858 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.