CID 521020

N-methylisoamylamine

Structural Information

Molecular Formula

C₆H₁₅N

SMILES

CC(C)CCNC

InChI

InChI=1S/C6H15N/c1-6(2)4-5-7-3/h6-7H,4-5H2,1-3H3

InChIKey

QSOCODZVGPDGDA-UHFFFAOYSA-N

Compound name

N,3-dimethylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1598
Patents: 101.12045 Da
Monoisotopic Mass: 1.5
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]+	102.12773	122.4
[M+Na]+	124.10967	132.3
[M+NH4]+	119.15427	131.2
[M+K]+	140.08361	126.6
[M-H]-	100.11317	123.2
[M+Na-2H]-	122.09512	126.9
[M]+	101.11990	123.8
[M]-	101.12100	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe