CID 17841522

10354-69-5

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CC(C)(CC=C)N

InChI

InChI=1S/C6H13N/c1-4-5-6(2,3)7/h4H,1,5,7H2,2-3H3

InChIKey

IGQKKHDDJXCEFL-UHFFFAOYSA-N

Compound name

2-methylpent-4-en-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 99.1048 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]+	100.112076	121.7
[M+Na]+	122.094018	128.8
[M-H]-	98.097524	121.8
[M+NH4]+	117.138623	144.7
[M+K]+	138.067958	128.0
[M+H-H2O]+	82.102060	117.9
[M+HCOO]-	144.103001	144.5
[M+CH3COO]-	158.118651	170.6
[M+Na-2H]-	120.079466	128.6
[M]+	99.10425142	119.9
[M]-	99.10534858	119.9

Literature stripe

literature stripe

Patent stripe

patents stripe