CID 11062646

N,n-diisopropylbutylamine

Structural Information

Molecular Formula

C₁₀H₂₃N

SMILES

CCCCN(C(C)C)C(C)C

InChI

InChI=1S/C10H23N/c1-6-7-8-11(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3

InChIKey

KLVOSHOFGYMCCP-UHFFFAOYSA-N

Compound name

N,N-di(propan-2-yl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1165
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	142.2
[M+Na]+	180.172258	146.7
[M-H]-	156.175764	143.4
[M+NH4]+	175.216863	163.7
[M+K]+	196.146198	147.7
[M+H-H2O]+	140.180300	136.8
[M+HCOO]-	202.181241	164.2
[M+CH3COO]-	216.196891	189.5
[M+Na-2H]-	178.157706	144.0
[M]+	157.18249142	144.1
[M]-	157.18358858	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe