CID 122403

Einecs 249-677-6

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	148.7
[M+Na]+	227.18422	150.5
[M-H]-	203.18772	146.3
[M+NH4]+	222.22882	165.3
[M+K]+	243.15816	149.2
[M+H-H2O]+	187.19226	141.6
[M+HCOO]-	249.19320	172.6
[M+CH3COO]-	263.20885	196.1
[M+Na-2H]-	225.16967	152.3
[M]+	204.19445	145.6
[M]-	204.19555	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe