CID 66828199

4-(5-bromopyridin-2-yl)oxan-4-amine

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂O

SMILES

C1COCCC1(C2=NC=C(C=C2)Br)N

InChI

InChI=1S/C10H13BrN2O/c11-8-1-2-9(13-7-8)10(12)3-5-14-6-4-10/h1-2,7H,3-6,12H2

InChIKey

UWOJZGDNBZYEMO-UHFFFAOYSA-N

Compound name

4-(5-bromo-2-pyridinyl)oxan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 256.02112 Da
Monoisotopic Mass: 0.6
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]+	257.028396	148.6
[M+Na]+	279.010338	157.8
[M-H]-	255.013844	156.1
[M+NH4]+	274.054943	167.7
[M+K]+	294.984278	148.0
[M+H-H2O]+	239.018380	147.6
[M+HCOO]-	301.019321	166.2
[M+CH3COO]-	315.034971	162.3
[M+Na-2H]-	276.995786	157.1
[M]+	256.02057142	162.8
[M]-	256.02166858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe