CID 79016233

(5-bromopyridin-3-yl)(cyclopropyl)methanamine

Structural Information

Molecular Formula

C₉H₁₁BrN₂

SMILES

C1CC1C(C2=CC(=CN=C2)Br)N

InChI

InChI=1S/C9H11BrN2/c10-8-3-7(4-12-5-8)9(11)6-1-2-6/h3-6,9H,1-2,11H2

InChIKey

UTZPXWHGEBKSKC-UHFFFAOYSA-N

Compound name

(5-bromopyridin-3-yl)-cyclopropylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 226.01056 Da
Monoisotopic Mass: 1.2
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]+	227.01784	133.5
[M+Na]+	248.99978	138.2
[M+NH4]+	244.04438	139.4
[M+K]+	264.97372	139.6
[M-H]-	225.00328	141.4
[M+Na-2H]-	246.98523	140.9
[M]+	226.01001	136.2
[M]-	226.01111	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe