CID 16391

Tert-amyl-tert-butylamine

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

CCC(C)(C)NC(C)(C)C

InChI

InChI=1S/C9H21N/c1-7-9(5,6)10-8(2,3)4/h10H,7H2,1-6H3

InChIKey

KZOPSPQZLMCNPF-UHFFFAOYSA-N

Compound name

N-tert-butyl-2-methylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 339
Patents: 143.1674 Da
Monoisotopic Mass: 2.3
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	135.9
[M+Na]+	166.15662	142.1
[M-H]-	142.16012	136.4
[M+NH4]+	161.20122	157.9
[M+K]+	182.13056	141.9
[M+H-H2O]+	126.16466	132.2
[M+HCOO]-	188.16560	156.7
[M+CH3COO]-	202.18125	181.3
[M+Na-2H]-	164.14207	143.0
[M]+	143.16685	136.5
[M]-	143.16795	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe