CID 45122249

Ethyl 4,5-diaminopentanoate dihydrochloride

Structural Information

Molecular Formula

C₇H₁₆N₂O₂

SMILES

CCOC(=O)CCC(CN)N

InChI

InChI=1S/C7H16N2O2/c1-2-11-7(10)4-3-6(9)5-8/h6H,2-5,8-9H2,1H3

InChIKey

ZDDJPXOHNDIRDJ-UHFFFAOYSA-N

Compound name

ethyl 4,5-diaminopentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 160.12119 Da
Monoisotopic Mass: -1.0
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]+	161.12847	138.0
[M+Na]+	183.11041	142.9
[M-H]-	159.11391	137.0
[M+NH4]+	178.15501	157.6
[M+K]+	199.08435	142.9
[M+H-H2O]+	143.11845	132.2
[M+HCOO]-	205.11939	160.9
[M+CH3COO]-	219.13504	182.8
[M+Na-2H]-	181.09586	140.1
[M]+	160.12064	136.7
[M]-	160.12174	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe