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

1
Annotation Hits: 1
References: 797
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]+	158.19032	140.7
[M+Na]+	180.17226	149.7
[M+NH4]+	175.21686	149.0
[M+K]+	196.14620	144.3
[M-H]-	156.17576	141.4
[M+Na-2H]-	178.15771	144.0
[M]+	157.18249	142.0
[M]-	157.18359	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe