CID 13165888

7754-40-7

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

CC(C)(C)C(C(C)(C)C)N

InChI

InChI=1S/C9H21N/c1-8(2,3)7(10)9(4,5)6/h7H,10H2,1-6H3

InChIKey

UNDBGOPBBPZAKN-UHFFFAOYSA-N

Compound name

2,2,4,4-tetramethylpentan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 143.1674 Da
Monoisotopic Mass: 2.8
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]+	144.17468	136.8
[M+Na]+	166.15662	145.3
[M+NH4]+	161.20122	144.5
[M+K]+	182.13056	141.5
[M-H]-	142.16012	136.0
[M+Na-2H]-	164.14207	139.8
[M]+	143.16685	137.7
[M]-	143.16795	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe