CID 122476

Dtxsid50952207

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

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

InChI

InChI=1S/C9H21N/c1-8(2,3)9(4,5)10(6)7/h1-7H3

InChIKey

DDXWCWBJFFJKGP-UHFFFAOYSA-N

Compound name

N,N,2,3,3-pentamethylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 143.1674 Da
Monoisotopic Mass: 2.6
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	134.4
[M+Na]+	166.15662	140.8
[M-H]-	142.16012	136.4
[M+NH4]+	161.20122	157.0
[M+K]+	182.13056	142.1
[M+H-H2O]+	126.16466	130.5
[M+HCOO]-	188.16560	155.7
[M+CH3COO]-	202.18125	184.9
[M+Na-2H]-	164.14207	140.9
[M]+	143.16685	136.3
[M]-	143.16795	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe