CID 71952991

6-bromo-7-ethoxy-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C11H14BrNO
SMILES
CCOC1=C(C=C2CCCNC2=C1)Br
InChI
InChI=1S/C11H14BrNO/c1-2-14-11-7-10-8(6-9(11)12)4-3-5-13-10/h6-7,13H,2-5H2,1H3
InChIKey
JSIIDALBMGSADW-UHFFFAOYSA-N
Compound name
6-bromo-7-ethoxy-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 150.0
[M+Na]+ 278.01510 160.2
[M-H]- 254.01860 154.0
[M+NH4]+ 273.05970 169.9
[M+K]+ 293.98904 148.5
[M+H-H2O]+ 238.02314 149.8
[M+HCOO]- 300.02408 166.1
[M+CH3COO]- 314.03973 189.8
[M+Na-2H]- 276.00055 157.2
[M]+ 255.02533 166.1
[M]- 255.02643 166.1
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.