CID 7894

Isoamylamine

Structural Information

Molecular Formula

C₅H₁₃N

SMILES

CC(C)CCN

InChI

InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3

InChIKey

BMFVGAAISNGQNM-UHFFFAOYSA-N

Compound name

3-methylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 48
References: 19340
Patents: 87.1048 Da
Monoisotopic Mass: 1.0
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]+	88.112076	117.9
[M+Na]+	110.09402	127.8
[M+NH4]+	105.13862	126.7
[M+K]+	126.06796	122.5
[M-H]-	86.097524	118.6
[M+Na-2H]-	108.07947	122.3
[M]+	87.104251	119.3
[M]-	87.105349	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe