CID 6453029

54561-96-5

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

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

InChI

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

InChIKey

SWIVDNYSVCBPDH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 55
Patents: 143.1674 Da
Monoisotopic Mass: 3.0
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]+	144.174676	137.3
[M+Na]+	166.156618	142.0
[M-H]-	142.160124	138.9
[M+NH4]+	161.201223	159.4
[M+K]+	182.130558	143.8
[M+H-H2O]+	126.164660	132.2
[M+HCOO]-	188.165601	158.7
[M+CH3COO]-	202.181251	187.4
[M+Na-2H]-	164.142066	138.5
[M]+	143.16685142	138.3
[M]-	143.16794858	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe