CID 15769358

Schembl8353274

Structural Information

Molecular Formula

C₇H₁₆N₂O₂

SMILES

CCNCCNCCC(=O)O

InChI

InChI=1S/C7H16N2O2/c1-2-8-5-6-9-4-3-7(10)11/h8-9H,2-6H2,1H3,(H,10,11)

InChIKey

UQSXFLNSFIZWHB-UHFFFAOYSA-N

Compound name

3-[2-(ethylamino)ethylamino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 160.12119 Da
Monoisotopic Mass: -3.0
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]+	161.128466	136.6
[M+Na]+	183.110408	141.2
[M-H]-	159.113914	135.1
[M+NH4]+	178.155013	156.0
[M+K]+	199.084348	140.5
[M+H-H2O]+	143.118450	130.9
[M+HCOO]-	205.119391	160.2
[M+CH3COO]-	219.135041	181.3
[M+Na-2H]-	181.095856	141.7
[M]+	160.12064142	136.2
[M]-	160.12173858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe