CID 84703171

5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C10H12BrNO
SMILES
COC1=CC2=C(CCCN2)C(=C1)Br
InChI
InChI=1S/C10H12BrNO/c1-13-7-5-9(11)8-3-2-4-12-10(8)6-7/h5-6,12H,2-4H2,1H3
InChIKey
NCNAMHKERCRSAD-UHFFFAOYSA-N
Compound name
5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

241.01022 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.017496 145.4
[M+Na]+ 263.999438 156.0
[M-H]- 240.002944 149.6
[M+NH4]+ 259.044043 165.9
[M+K]+ 279.973378 144.6
[M+H-H2O]+ 224.007480 145.4
[M+HCOO]- 286.008421 161.8
[M+CH3COO]- 300.024071 187.0
[M+Na-2H]- 261.984886 153.2
[M]+ 241.00967142 161.2
[M]- 241.01076858 161.2
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