CID 81207

6711-48-4

Structural Information

Molecular Formula

C₁₀H₂₅N₃

SMILES

CN(C)CCCNCCCN(C)C

InChI

InChI=1S/C10H25N3/c1-12(2)9-5-7-11-8-6-10-13(3)4/h11H,5-10H2,1-4H3

InChIKey

BXYVQNNEFZOBOZ-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]-N',N'-dimethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 6114
Patents: 187.20485 Da
Monoisotopic Mass: 0.6
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]+	188.21213	149.9
[M+Na]+	210.19407	153.1
[M-H]-	186.19757	152.2
[M+NH4]+	205.23867	170.1
[M+K]+	226.16801	154.6
[M+H-H2O]+	170.20211	142.8
[M+HCOO]-	232.20305	176.3
[M+CH3COO]-	246.21870	201.0
[M+Na-2H]-	208.17952	153.7
[M]+	187.20430	152.7
[M]-	187.20540	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe