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]+ 251.01784 145.8
[M+Na]+ 272.99978 157.6
[M-H]- 249.00328 151.8
[M+NH4]+ 268.04438 166.4
[M+K]+ 288.97372 145.6
[M+H-H2O]+ 233.00782 144.9
[M+HCOO]- 295.00876 166.8
[M+CH3COO]- 309.02441 160.5
[M+Na-2H]- 270.98523 155.9
[M]+ 250.01001 164.4
[M]- 250.01111 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.