CID 2759253

Octyl 2-aminoacetate hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CCCCCCCCOC(=O)CN

InChI

InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-8-13-10(12)9-11/h2-9,11H2,1H3

InChIKey

CTUONRTZCUHXSD-UHFFFAOYSA-N

Compound name

octyl 2-aminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 366
Patents: 187.15723 Da
Monoisotopic Mass: 2.5
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]+	188.164506	147.0
[M+Na]+	210.146448	151.8
[M-H]-	186.149954	146.1
[M+NH4]+	205.191053	166.3
[M+K]+	226.120388	150.9
[M+H-H2O]+	170.154490	141.3
[M+HCOO]-	232.155431	169.6
[M+CH3COO]-	246.171081	186.6
[M+Na-2H]-	208.131896	149.8
[M]+	187.15668142	149.4
[M]-	187.15777858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe