CID 16727456

2-[2-[1-(ethoxymethyl)propylamino]ethylamino]propan-1-ol

Structural Information

Molecular Formula

C₁₁H₂₆N₂O₂

SMILES

CCC(COCC)NCCNC(C)CO

InChI

InChI=1S/C11H26N2O2/c1-4-11(9-15-5-2)13-7-6-12-10(3)8-14/h10-14H,4-9H2,1-3H3

InChIKey

IPSAHACPHSVGTK-UHFFFAOYSA-N

Compound name

2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 218.19943 Da
Monoisotopic Mass: 0.3
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]+	219.206706	157.1
[M+Na]+	241.188648	159.5
[M-H]-	217.192154	154.9
[M+NH4]+	236.233253	174.2
[M+K]+	257.162588	158.9
[M+H-H2O]+	201.196690	150.6
[M+HCOO]-	263.197631	178.2
[M+CH3COO]-	277.213281	195.1
[M+Na-2H]-	239.174096	158.7
[M]+	218.19888142	158.2
[M]-	218.19997858	158.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.