CID 78207

Di-n-butylethylamine

Structural Information

Molecular Formula

C₁₀H₂₃N

SMILES

CCCCN(CC)CCCC

InChI

InChI=1S/C10H23N/c1-4-7-9-11(6-3)10-8-5-2/h4-10H2,1-3H3

InChIKey

BBDGYADAMYMJNO-UHFFFAOYSA-N

Compound name

N-butyl-N-ethylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5528
Patents: 157.18304 Da
Monoisotopic Mass: 3.1
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]+	158.190316	141.4
[M+Na]+	180.172258	146.3
[M-H]-	156.175764	142.4
[M+NH4]+	175.216863	163.1
[M+K]+	196.146198	146.5
[M+H-H2O]+	140.180300	135.8
[M+HCOO]-	202.181241	165.4
[M+CH3COO]-	216.196891	187.8
[M+Na-2H]-	178.157706	145.8
[M]+	157.18249142	144.7
[M]-	157.18358858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe