CID 107469

3844-53-9

Structural Information

Molecular Formula

C₈H₁₈N₂O₂

SMILES

CCOC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C8H18N2O2/c1-2-12-8(11)7(10)5-3-4-6-9/h7H,2-6,9-10H2,1H3/t7-/m0/s1

InChIKey

CZEPJJXZASVXQF-ZETCQYMHSA-N

Compound name

ethyl (2S)-2,6-diaminohexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 1484
Patents: 174.13683 Da
Monoisotopic Mass: -0.3
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]+	175.14411	141.1
[M+Na]+	197.12605	147.5
[M+NH4]+	192.17065	147.1
[M+K]+	213.09999	143.9
[M-H]-	173.12955	140.0
[M+Na-2H]-	195.11150	142.3
[M]+	174.13628	141.1
[M]-	174.13738	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe