CID 43163693

1337882-65-1

Structural Information

Molecular Formula

C₈H₁₁BrN₂

SMILES

CCNCC1=CC(=CN=C1)Br

InChI

InChI=1S/C8H11BrN2/c1-2-10-4-7-3-8(9)6-11-5-7/h3,5-6,10H,2,4H2,1H3

InChIKey

FBGOUYWASCNWHU-UHFFFAOYSA-N

Compound name

N-[(5-bromo-3-pyridinyl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 182
Patents: 214.01056 Da
Monoisotopic Mass: 1.3
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]+	215.017836	136.9
[M+Na]+	236.999778	147.9
[M-H]-	213.003284	141.8
[M+NH4]+	232.044383	157.8
[M+K]+	252.973718	136.7
[M+H-H2O]+	197.007820	136.0
[M+HCOO]-	259.008761	158.9
[M+CH3COO]-	273.024411	187.1
[M+Na-2H]-	234.985226	146.2
[M]+	214.01001142	155.1
[M]-	214.01110858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe