CID 53211528

1248399-37-2

Structural Information

Molecular Formula

C₁₀H₁₅BrN₂O

SMILES

CN(C)CCCOC1=NC=C(C=C1)Br

InChI

InChI=1S/C10H15BrN2O/c1-13(2)6-3-7-14-10-5-4-9(11)8-12-10/h4-5,8H,3,6-7H2,1-2H3

InChIKey

NDZCQLBVBUYBKW-UHFFFAOYSA-N

Compound name

3-(5-bromopyridin-2-yl)oxy-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 258.03677 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.04405	149.6
[M+Na]+	281.02599	152.4
[M+NH4]+	276.07059	154.1
[M+K]+	296.99993	152.0
[M-H]-	257.02949	150.5
[M+Na-2H]-	279.01144	153.3
[M]+	258.03622	149.0
[M]-	258.03732	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe