CID 122403

29513-72-2

Structural Information

Molecular Formula

C₉H₂₄N₄O

SMILES

CC(CNCCNCCNCCN)O

InChI

InChI=1S/C9H24N4O/c1-9(14)8-13-7-6-12-5-4-11-3-2-10/h9,11-14H,2-8,10H2,1H3

InChIKey

GKCQLFULQJJWIF-UHFFFAOYSA-N

Compound name

1-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 64
Patents: 204.195 Da
Monoisotopic Mass: -2.3
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]+	205.20228	149.4
[M+Na]+	227.18422	153.3
[M+NH4]+	222.22882	154.8
[M+K]+	243.15816	149.3
[M-H]-	203.18772	149.2
[M+Na-2H]-	225.16967	150.4
[M]+	204.19445	149.1
[M]-	204.19555	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe