CID 46835715

[(8-bromoquinolin-4-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C11H11BrN2
SMILES
CNCC1=C2C=CC=C(C2=NC=C1)Br
InChI
InChI=1S/C11H11BrN2/c1-13-7-8-5-6-14-11-9(8)3-2-4-10(11)12/h2-6,13H,7H2,1H3
InChIKey
RRNDUQFEKZZHHV-UHFFFAOYSA-N
Compound name
1-(8-bromoquinolin-4-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.01056 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.017836 145.8
[M+Na]+ 272.999778 157.6
[M-H]- 249.003284 151.8
[M+NH4]+ 268.044383 166.4
[M+K]+ 288.973718 145.6
[M+H-H2O]+ 233.007820 144.9
[M+HCOO]- 295.008761 166.8
[M+CH3COO]- 309.024411 160.5
[M+Na-2H]- 270.985226 155.9
[M]+ 250.01001142 164.4
[M]- 250.01110858 164.4
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.