CID 10057607

Iptakalim

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

CC(C)C(C)(C)NC(C)C

InChI

InChI=1S/C9H21N/c1-7(2)9(5,6)10-8(3)4/h7-8,10H,1-6H3

InChIKey

RGWFHCMKBAMWDX-UHFFFAOYSA-N

Compound name

2,3-dimethyl-N-propan-2-ylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 74
References: 247
Patents: 143.1674 Da
Monoisotopic Mass: 2.5
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	136.5
[M+Na]+	166.15662	145.2
[M+NH4]+	161.20122	144.5
[M+K]+	182.13056	140.8
[M-H]-	142.16012	136.3
[M+Na-2H]-	164.14207	139.7
[M]+	143.16685	137.5
[M]-	143.16795	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe