CID 123199

Propylamine, n,n,1,1,2,2-hexamethyl-

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

CC(CN(C)C)C(C)(C)C

InChI

InChI=1S/C9H21N/c1-8(7-10(5)6)9(2,3)4/h8H,7H2,1-6H3

InChIKey

SERGPIDKHQLUHT-UHFFFAOYSA-N

Compound name

N,N,2,3,3-pentamethylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 143.1674 Da
Monoisotopic Mass: 2.8
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	141.6
[M-H]-	142.16012	137.7
[M+NH4]+	161.20122	158.4
[M+K]+	182.13056	142.9
[M+H-H2O]+	126.16466	131.4
[M+HCOO]-	188.16560	157.8
[M+CH3COO]-	202.18125	185.3
[M+Na-2H]-	164.14207	140.4
[M]+	143.16685	137.6
[M]-	143.16795	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe