CID 469930

91965-06-9

Structural Information

Molecular Formula

C₁₁H₂₆N₂O₂

SMILES

CCC(CO)NCC(C)NC(CC)CO

InChI

InChI=1S/C11H26N2O2/c1-4-10(7-14)12-6-9(3)13-11(5-2)8-15/h9-15H,4-8H2,1-3H3

InChIKey

VIJMCLDEVRPIOU-UHFFFAOYSA-N

Compound name

2-[2-(1-hydroxybutan-2-ylamino)propylamino]butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 218.19943 Da
Monoisotopic Mass: 0.4
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	158.3
[M+Na]+	241.188648	160.0
[M-H]-	217.192154	154.8
[M+NH4]+	236.233253	174.5
[M+K]+	257.162588	159.1
[M+H-H2O]+	201.196690	152.1
[M+HCOO]-	263.197631	176.8
[M+CH3COO]-	277.213281	193.6
[M+Na-2H]-	239.174096	158.0
[M]+	218.19888142	156.7
[M]-	218.19997858	156.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.