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: 254
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	136.6
[M+Na]+	166.15662	141.8
[M-H]-	142.16012	136.9
[M+NH4]+	161.20122	158.2
[M+K]+	182.13056	142.1
[M+H-H2O]+	126.16466	132.3
[M+HCOO]-	188.16560	156.9
[M+CH3COO]-	202.18125	183.2
[M+Na-2H]-	164.14207	140.5
[M]+	143.16685	136.4
[M]-	143.16795	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe