CID 418247

1,1-dimethylbutylamine

Structural Information

Molecular Formula

C₆H₁₅N

SMILES

CCCC(C)(C)N

InChI

InChI=1S/C6H15N/c1-4-5-6(2,3)7/h4-5,7H2,1-3H3

InChIKey

KPNJYXKRHWAPHP-UHFFFAOYSA-N

Compound name

2-methylpentan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4594
Patents: 101.12045 Da
Monoisotopic Mass: 1.2
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	122.3
[M+Na]+	124.10967	132.0
[M+NH4]+	119.15427	130.9
[M+K]+	140.08361	127.0
[M-H]-	100.11317	122.5
[M+Na-2H]-	122.09512	126.6
[M]+	101.11990	123.6
[M]-	101.12100	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe