CID 45930

Dodecanediamidine, dihydrochloride

Structural Information

Molecular Formula

C₁₂H₂₆N₄

SMILES

C(CCCCCC(=N)N)CCCCC(=N)N

InChI

InChI=1S/C12H26N4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H3,13,14)(H3,15,16)

InChIKey

IJJOXGOHGUOKBS-UHFFFAOYSA-N

Compound name

dodecanediimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 226.21574 Da
Monoisotopic Mass: 2.1
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]+	227.22302	159.0
[M+Na]+	249.20496	160.4
[M-H]-	225.20846	157.1
[M+NH4]+	244.24956	175.1
[M+K]+	265.17890	157.8
[M+H-H2O]+	209.21300	151.6
[M+HCOO]-	271.21394	181.9
[M+CH3COO]-	285.22959	204.1
[M+Na-2H]-	247.19041	159.1
[M]+	226.21519	154.5
[M]-	226.21629	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe