CID 7908

1,3-dimethylbutylamine

Structural Information

Molecular Formula

C₆H₁₅N

SMILES

CC(C)CC(C)N

InChI

InChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3

InChIKey

UNBMPKNTYKDYCG-UHFFFAOYSA-N

Compound name

4-methylpentan-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 15
References: 4685
Patents: 101.12045 Da
Monoisotopic Mass: 1.4
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	123.0
[M+Na]+	124.10967	132.3
[M+NH4]+	119.15427	131.5
[M+K]+	140.08361	127.6
[M-H]-	100.11317	123.4
[M+Na-2H]-	122.09512	126.7
[M]+	101.11990	124.2
[M]-	101.12100	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe