CID 61375839

(2-[(3-bromopyridin-2-yl)oxy]ethyl)dimethylamine

Structural Information

Molecular Formula
C9H13BrN2O
SMILES
CN(C)CCOC1=C(C=CC=N1)Br
InChI
InChI=1S/C9H13BrN2O/c1-12(2)6-7-13-9-8(10)4-3-5-11-9/h3-5H,6-7H2,1-2H3
InChIKey
TVQBGVGCKIEKSB-UHFFFAOYSA-N
Compound name
2-(3-bromopyridin-2-yl)oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.02113 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02841 144.1
[M+Na]+ 267.01035 154.8
[M-H]- 243.01385 150.3
[M+NH4]+ 262.05495 164.4
[M+K]+ 282.98429 145.2
[M+H-H2O]+ 227.01839 142.6
[M+HCOO]- 289.01933 166.5
[M+CH3COO]- 303.03498 195.1
[M+Na-2H]- 264.99580 152.2
[M]+ 244.02058 165.2
[M]- 244.02168 165.2
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

No patent data available for this compound.