CID 4255656

1-ethyl-n,n-diisopropylpropylamine

Structural Information

Molecular Formula

C₁₁H₂₅N

SMILES

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

InChI

InChI=1S/C11H25N/c1-7-11(8-2)12(9(3)4)10(5)6/h9-11H,7-8H2,1-6H3

InChIKey

BDKMTSFYPWEJRE-UHFFFAOYSA-N

Compound name

N,N-di(propan-2-yl)pentan-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 144
Patents: 171.1987 Da
Monoisotopic Mass: 3.7
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]+	172.205976	146.9
[M+Na]+	194.187918	150.7
[M-H]-	170.191424	148.1
[M+NH4]+	189.232523	167.8
[M+K]+	210.161858	152.0
[M+H-H2O]+	154.195960	141.4
[M+HCOO]-	216.196901	167.6
[M+CH3COO]-	230.212551	193.4
[M+Na-2H]-	192.173366	146.9
[M]+	171.19815142	148.6
[M]-	171.19924858	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe