CID 217390

4,9-diazadodecanedialdehyde dihydrochloride

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

C(CCNCCC=O)CNCCC=O

InChI

InChI=1S/C10H20N2O2/c13-9-3-7-11-5-1-2-6-12-8-4-10-14/h9-12H,1-8H2

InChIKey

WPBJCXUUUSDQJO-UHFFFAOYSA-N

Compound name

3-[4-(3-oxopropylamino)butylamino]propanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 95
Patents: 200.15248 Da
Monoisotopic Mass: -1.1
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]+	201.15976	147.0
[M+Na]+	223.14170	151.3
[M-H]-	199.14520	146.3
[M+NH4]+	218.18630	165.5
[M+K]+	239.11564	149.6
[M+H-H2O]+	183.14974	140.5
[M+HCOO]-	245.15068	172.3
[M+CH3COO]-	259.16633	191.3
[M+Na-2H]-	221.12715	152.5
[M]+	200.15193	149.6
[M]-	200.15303	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe