CID 112201

104068-74-8

Structural Information

Molecular Formula

C₈H₁₉N₃O₂

SMILES

C(CCN)CC(C(=O)OCCN)N

InChI

InChI=1S/C8H19N3O2/c9-4-2-1-3-7(11)8(12)13-6-5-10/h7H,1-6,9-11H2

InChIKey

RHMJDCIYQZFNMK-UHFFFAOYSA-N

Compound name

2-aminoethyl 2,6-diaminohexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 259
Patents: 189.14772 Da
Monoisotopic Mass: -1.6
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]+	190.15500	145.5
[M+Na]+	212.13694	149.0
[M-H]-	188.14044	143.7
[M+NH4]+	207.18154	163.1
[M+K]+	228.11088	148.5
[M+H-H2O]+	172.14498	138.8
[M+HCOO]-	234.14592	168.3
[M+CH3COO]-	248.16157	190.5
[M+Na-2H]-	210.12239	146.2
[M]+	189.14717	142.6
[M]-	189.14827	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe