CID 12019

3-aminopentane

Structural Information

Molecular Formula

C₅H₁₃N

SMILES

CCC(CC)N

InChI

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

InChIKey

PQPFFKCJENSZKL-UHFFFAOYSA-N

Compound name

pentan-3-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 14109
Patents: 87.1048 Da
Monoisotopic Mass: 1.1
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	119.4
[M+Na]+	110.09402	125.9
[M-H]-	86.097524	119.4
[M+NH4]+	105.13862	142.8
[M+K]+	126.06796	126.1
[M+H-H2O]+	70.102060	115.0
[M+HCOO]-	132.10300	142.9
[M+CH3COO]-	146.11865	169.1
[M+Na-2H]-	108.07947	124.9
[M]+	87.104251	117.8
[M]-	87.105349	117.8

Literature stripe

literature stripe

Patent stripe

patents stripe