CID 18945537

189253-72-3

Structural Information

Molecular Formula

C₁₀H₂₅N₃O

SMILES

CN(C)CCOCCN(C)CCCN

InChI

InChI=1S/C10H25N3O/c1-12(2)7-9-14-10-8-13(3)6-4-5-11/h4-11H2,1-3H3

InChIKey

DNRUQHYIUPKPOQ-UHFFFAOYSA-N

Compound name

N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 415
Patents: 203.19977 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]+	204.20705	151.0
[M+Na]+	226.18899	157.4
[M+NH4]+	221.23359	157.8
[M+K]+	242.16293	152.5
[M-H]-	202.19249	152.0
[M+Na-2H]-	224.17444	153.6
[M]+	203.19922	151.7
[M]-	203.20032	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe